Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-
TL;DR: Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- (CAS 94850-13-2) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R,12S)-4,5,11,12-tetrahydrobenzo[a]pyrene-11,12-diol
Also Known As: Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-, (11R,12S)-4,5,11,12-Tetrahydrobenzo(b)pyrene-11,12-diol, (11r,12s)-4,5,11,12-tetrahydrobenzo[pqr]tetraphene-11,12-diol, (11R,12S)-4,5,11,12-tetrahydrobenzo[a]pyrene-11,12-diol
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 94850-13-2 |
|---|---|
| SMILES | C1CC2=CC3=CC=CC=C3C4=C2C5=C1C=CC=C5[C@@H]([C@@H]4O)O |
| InChIKey | HMIVCMHHTXPQNY-VQTJNVASSA-N |
Product Overview
Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- (CAS 94850-13-2), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: (11R,12S)-4,5,11,12-tetrahydrobenzo[a]pyrene-11,12-diol.
Chemical Property Profile of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-
Property Insights of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-
The XLogP value of 3.2 indicates that Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- has 2 hydrogen bond donor(s) and 2 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(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-?
The CAS number of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- is 94850-13-2.
What is the molecular formula of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-?
The molecular formula of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- is C20H16O2.
What is the molecular weight of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-?
The molecular weight of Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- is 288.12 g/mol.
Where can I buy Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-?
You can request a quote for Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)pyrene-11,12-diol, 4,5,11,12-tetrahydro-, Cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.