Benzo(a)pyrenetetrol II 1
TL;DR: Benzo(a)pyrenetetrol II 1 (CAS 61490-67-3) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8R,9R,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
Also Known As: Benzo(a)pyrenetetrol II 1, Benzo[a]pyrenetetrol II 1, 7,8,9,10-Tetrahydroxytetrahydrobenzo(a)pyrene, 7,9/8,10-Tetrahydroxytetrahydrobenzo(a)pyrene, 7-beta,8-alpha,9-beta,10-alpha-Tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 61490-67-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@@H]([C@H]5O)O)O)O)C=C2 |
| InChIKey | KWFVZAJQUSRMCC-VNTMZGSJSA-N |
Product Overview
Benzo(a)pyrenetetrol II 1 (CAS 61490-67-3), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: (7S,8R,9R,10S)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol.
Chemical Property Profile of Benzo(a)pyrenetetrol II 1
Property Insights of Benzo(a)pyrenetetrol II 1
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(a)pyrenetetrol II 1. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrenetetrol II 1. Following Lipinski's Rule of Five, Benzo(a)pyrenetetrol II 1 has 4 hydrogen bond donor(s) and 4 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 Benzo(a)pyrenetetrol II 1?
The CAS number of Benzo(a)pyrenetetrol II 1 is 61490-67-3.
What is the molecular formula of Benzo(a)pyrenetetrol II 1?
The molecular formula of Benzo(a)pyrenetetrol II 1 is C20H16O4.
What is the molecular weight of Benzo(a)pyrenetetrol II 1?
The molecular weight of Benzo(a)pyrenetetrol II 1 is 320.10 g/mol.
Where can I buy Benzo(a)pyrenetetrol II 1?
You can request a quote for Benzo(a)pyrenetetrol II 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrenetetrol II 1?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrenetetrol II 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.