Biotinyl-4-nitrophenyl ester

Biotinyl-4-nitrophenyl ester is a chemical compound registered under number CAS 33755-53-2, with the molecular formula C₁₆H₁₉N₃O₅S, and a molar mass of 365.4 g/mol.

The molecule contains 44 atoms connected by 46 chemical bonds. The full systematic IUPAC name of this compound is (4-nitrophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2 (positive value, a lipophilic compound), polar surface area PSA = 139 Ų, 2 donors and 6 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C16H19N3O5S
Masa molowa	365.4 g/mol
IUPAC	(4-nitrophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
SMILES	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N2
InChIKey	YUDNXDTXQPYKCA-YDHLFZDLSA-N
logP (XLogP3)	2
PSA	139 Ų
HBD / HBA	2 / 6
PubChem CID	CID 83848 ↗

33755-53-2 · Biotinyl-4-nitrophenyl ester · Biotin-p-nitrophenyl ester · RefChem:119886 · DTXCID90109915 · (+)-Biotin 4-nitrophenyl ester · d-Biotin p-nitrophenyl ester · (+)-Biotin-ONP · biotin p-nitrophenyl ester · MFCD15141972 · 4-Nitrophenyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate · (4-nitrophenyl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate · Biotin-ONP · AKOS015900654 · AKOS040743774

• 📊 PubChem CID 83848 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność