rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol
TL;DR: rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol (CAS 56484-47-0) 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.
(9R,10S)-9,10-dihydrobenzo[a]pyrene-9,10-diol
Also Known As: BP cis-9,10-dihydrodiol, cis-Benzo(a)pyrene-9,10-dihydrodiol, Benzo[a]pyrene-cis-9,10-dihydrodiol, cis-9,10-Dihydrobenzo[a]pyrene-diol, trans-9,10-dihydrodiolbenzo[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 | 56484-47-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@@H](C=C5)O)O)C=C2 |
| InChIKey | GHARBPKRUUKTCI-OXQOHEQNSA-N |
Product Overview
rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol (CAS 56484-47-0), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (9R,10S)-9,10-dihydrobenzo[a]pyrene-9,10-diol.
Chemical Property Profile of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol
Property Insights of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol
The XLogP value of 3.9 indicates that rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol 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 rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol?
The CAS number of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol is 56484-47-0.
What is the molecular formula of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol?
The molecular formula of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol is C20H14O2.
What is the molecular weight of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol?
The molecular weight of rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol is 286.10 g/mol.
Where can I buy rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol?
You can request a quote for rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol?
Yes, KEHONG BIO provides custom synthesis services for rel-(9R,10S)-9,10-Dihydrobenzo(a)pyrene-9,10-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.