CAS number to 3D molecule model, ready to print

Made to order · any molecule · delivered worldwide

CAS number to 3D molecule model, ready to print

Send us a CAS number or a SMILES string. We build a 3D model with the element symbol on every atom: as a print-ready file for your printer, as a finished print, or both, delivered anywhere in the world.

CAS, SMILES or a name · reply within 1 working day · shipped worldwide

Send us your molecule → Turn it in 3D →

Caffeine molecule 3D printed on a Bambu Lab printer, side view: ball-and-stick model with element letters on a MolGod.org base (CAS 58-08-2)
Real print · caffeine, side view
Close-up of the white 3D printed caffeine desk model: ball-and-stick, pencil pillars, labelled base, CAS 58-08-2
Real print · one piece, unpainted
Top view of the 3D printed caffeine model: purine rings, three methyl groups and the MolGod.org base with the formula C8H10N4O2
Real print · top view, formula on the base
Caffeine molecule model on its display base, multicolour version with pencil pillars, CAS 58-08-2 (render)
Render · the six-colour version

From a CAS number to a model in your hands

One request is enough. Everything between your molecule and the finished model is our job.

CAS, SMILES or just a name

Any one of them is enough to start.

CAS number

The quickest route

We take the computed 3D structure of the molecule and check it before we build.

SMILES string

Enough on its own

No CAS number needed. Paste it into the form exactly as it is.

Brand-new compound

We predict the geometry

No CAS number, no published 3D structure? For new research compounds we predict the 3D geometry from the SMILES and build the model from it.

A predicted geometry is computed, not measured. We say so plainly: such models are labelled PREDICTED MODEL – NOT VERIFIED, so nobody mistakes them for an experimental structure.

Turn it in your hand, before you print

The same caffeine model on its display base, exactly as the printer builds it. Rotate it, zoom in, cut off the supports, try other colours.

Preview of the 6-colour print model — rotate it with your mouse or finger; see it as printed, finished, as the molecule alone, and where to cut it off the pencils

Loading the 3D model…

Drag to rotate; scroll or pinch to zoom. Each part is shown in the colour of its filament.

6 colours in one print, no paintingBambu Lab H2C, 0.4 mm nozzle, 0.16 mm layersabout 172 g of PLAabout 16 h 46 min of printing (slicer estimate)Slicer-tested, multicolour test print still to come

⬇️ Sliced for H2C (G-code 3MF) · 48 MB⬇️ Everything in one ZIP · 148 MBFull multicolour specification ↓

Chemistry they can hold

Printed molecules in your students’ hands. Not just coloured: engraved, with a letter on every atom.

An ordinary model

Caffeine 3D model, normal version: every atom is an identical sphere
  • Every atom is the same sphere
  • Printed in one colour, carbon and nitrogen look alike
  • Students ask: which atom is which?

A MolGod engraved model

Caffeine 3D model, engraved version: element symbol C, H, N or O on every atom
  • C, H, N or O on every atom, readable in plain white plastic
  • True 3D geometry, not a flat drawing lifted off the page
  • Formula on top; name, CAS number and a QR code to its page underneath

Caffeine, live in your browser

The same molecule in our interactive viewer: rotate it, switch styles, read its NMR spectrum and safety data. Every model we make gets a page like this.

Loading molecule...
3D model Caffeine, CAS 58-08-2, molecular formula C8H10N4O2, molar mass 194.19 g/mol

Model views

  • Caffeine (CAS 58-08-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Caffeine (CAS 58-08-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Caffeine (CAS 58-08-2) – 2D structure, MolGod Viewer
    2D structure

© 2026 MolGod.org. All rights reserved. · Image rights

Why some molecules are not on the menu

Algorithms keep a strict diet. Show them a perfectly ordinary molecule under the wrong name and they decide it is not kosher, not halal, quite possibly not even vegan. Then the whole website goes on their blacklist, benzene included.

Chemistry does not work that way. A carbon atom in a regulated medicine is the same carbon atom you find in caffeine, and its model is just as easy to make. We simply prefer not to argue with a filter that reads names instead of structures. So some molecules stay off the public menu, and that is why many molecules we could make for you are not listed on this site.

The kitchen is still open. Send us a CAS number or a SMILES string and we will prepare a 3D model of any molecule, made to order and delivered straight to you. It never appears on the site, so the algorithms can stick to their diet in peace. We serve science: structures, models and published data. No recipes: nobody gets instructions for making anything.

Caffeine molecule model on its display base, multicolour version with pencil pillars, CAS 58-08-2 (render)
On today’s menu: caffeine, in six colours (render)

Send us your molecule

We reply within one working day. Teachers and lecturers: the first 25 who join Wave 1 by 30 December 2026 get their model and 72 hours of our team’s help free of charge; in return we ask for photos of your prints and a few honest words about how it went.

More details (optional)

We use your details only to answer this request. Privacy policy

Prefer e-mail? pure@molgod.orgOr ask Anton in the chat, bottom right.

Print caffeine tonight

The caffeine model above is free to download: the engraved molecule on its 100 mm base, one STL file in millimetres, with print settings.

Download caffeine, ready to print →

Free for non-commercial use under CC BY-NC-SA 4.0 (the NORMAL and ENGRAVED caffeine models: CC BY-SA 4.0). More free models for class on the page for teachers.

Optional: leave your e-mail and we will prepare the next molecule from your syllabus.

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