cis-Benzo(a)pyrene-7,8-dihydrodiol
TL;DR: cis-Benzo(a)pyrene-7,8-dihydrodiol (CAS 76188-90-4) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8-diol
Also Known As: cis-Benzo(a)pyrene-7,8-dihydrodiol, cis-7,8-Dihydrobenzo(a)pyrene, Benzo(a)pyrene cis-7,8-dihydrodiol, cis-7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene, cis-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 76188-90-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C[C@H]([C@H]5O)O)C=C2 |
| InChIKey | YDXRLMMGARHIIC-XLIONFOSSA-N |
Product Overview
cis-Benzo(a)pyrene-7,8-dihydrodiol (CAS 76188-90-4), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8-diol.
Chemical Property Profile of cis-Benzo(a)pyrene-7,8-dihydrodiol
Property Insights of cis-Benzo(a)pyrene-7,8-dihydrodiol
The XLogP value of 3.9 indicates that cis-Benzo(a)pyrene-7,8-dihydrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, cis-Benzo(a)pyrene-7,8-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Benzo(a)pyrene-7,8-dihydrodiol 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 cis-Benzo(a)pyrene-7,8-dihydrodiol?
The CAS number of cis-Benzo(a)pyrene-7,8-dihydrodiol is 76188-90-4.
What is the molecular formula of cis-Benzo(a)pyrene-7,8-dihydrodiol?
The molecular formula of cis-Benzo(a)pyrene-7,8-dihydrodiol is C20H14O2.
What is the molecular weight of cis-Benzo(a)pyrene-7,8-dihydrodiol?
The molecular weight of cis-Benzo(a)pyrene-7,8-dihydrodiol is 286.10 g/mol.
Where can I buy cis-Benzo(a)pyrene-7,8-dihydrodiol?
You can request a quote for cis-Benzo(a)pyrene-7,8-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Benzo(a)pyrene-7,8-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for cis-Benzo(a)pyrene-7,8-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.