朱红 (CAS 117342-26-4)

2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

CAS 117342-26-4  ·  C29H30BrNO3  ·  MW 520.5 g/mol

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3D model 2'-Bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one, CAS 117342-26-4, molecular formula C29H30BrNO3, molar mass 520.5 g/mol
About 朱红 (CAS 117342-26-4)

朱红 (CAS 117342-26-4) is a chemical compound registered under number CAS 117342-26-4, with the molecular formula C29H30BrNO3, and a molar mass of 520.5 g/mol.

The molecule contains 64 atoms connected by 68 chemical bonds. The full systematic IUPAC name of this compound is 2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one. 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 = 7.8 (positive value, a lipophilic compound), polar surface area PSA = 38.8 Ų, 0 donors and 4 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.

Physicochemical properties
Wzór sumarycznyC29H30BrNO3
Masa molowa520.5 g/mol
IUPAC2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Br)C
InChIKeyXUPLAFJEGMCRDR-UHFFFAOYSA-N
logP (XLogP3)7.8
PSA38.8 Ų
HBD / HBA0 / 4
PubChem CIDCID 9958312 ↗
Scientific literature

Brak artykułów naukowych dla CAS 117342-26-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
117342-26-4 · SCHEMBL27083121 · SCHEMBL29882971 · XUPLAFJEGMCRDR-UHFFFAOYSA-N · 2'-Bromo-6'-(dibutylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one · 2a(2)-Bromo-6a(2)-(dibutylamino)-3a(2)-methylspiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-3-one
Data sources
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