Tetraacetylbrazilin
TL;DR: Tetraacetylbrazilin (CAS 25462-50-4) is a chemical compound with molecular formula C24H22O9 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6a,9,10-triacetyloxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-3-yl) acetate
Also Known As: Tetraacetylbrazilin, amine-PEO3-biotin, Brazilin tetraacetate, 6a,9,10-Tris(acetyloxy)-6,6a,7,11b-tetrahydroindeno[2,1-c]chromen-3-yl acetate, 7,11b-Dihydroindeno[2,1-c]chromene-3,6a,9,10(6H)-tetrayl tetraace tate
| Molecular Formula | C24H22O9 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.12637 |
| Heavy Atoms | 33 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 25462-50-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C3C4=CC(=C(C=C4CC3(CO2)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | QTWIUPRYNALMAA-UHFFFAOYSA-N |
Product Overview
Tetraacetylbrazilin (CAS 25462-50-4), with molecular formula C24H22O9 and molecular weight 454.13 g/mol. IUPAC: (6a,9,10-triacetyloxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-3-yl) acetate.
Chemical Property Profile of Tetraacetylbrazilin
Property Insights of Tetraacetylbrazilin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraacetylbrazilin. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraacetylbrazilin. Following Lipinski's Rule of Five, Tetraacetylbrazilin has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraacetylbrazilin?
The CAS number of Tetraacetylbrazilin is 25462-50-4.
What is the molecular formula of Tetraacetylbrazilin?
The molecular formula of Tetraacetylbrazilin is C24H22O9.
What is the molecular weight of Tetraacetylbrazilin?
The molecular weight of Tetraacetylbrazilin is 454.13 g/mol.
Where can I buy Tetraacetylbrazilin?
You can request a quote for Tetraacetylbrazilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraacetylbrazilin?
Yes, KEHONG BIO provides custom synthesis services for Tetraacetylbrazilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.