Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-
TL;DR: Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- (CAS 79418-88-5) is a chemical compound with molecular formula C21H16O3 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol
Also Known As: Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-, (9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol, (9s,10s)-7-(hydroxymethyl)-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol
| Molecular Formula | C21H16O3 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.10995 |
| Heavy Atoms | 24 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 79418-88-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H](C=C5CO)O)O)C=C2 |
| InChIKey | NHMQHSCLVLDCKZ-LAUBAEHRSA-N |
Product Overview
Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- (CAS 79418-88-5), with molecular formula C21H16O3 and molecular weight 316.11 g/mol. IUPAC: (9S,10S)-7-(hydroxymethyl)-9,10-dihydrobenzo[a]pyrene-9,10-diol.
Chemical Property Profile of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-
Property Insights of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-. Following Lipinski's Rule of Five, Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- has 3 hydrogen bond donor(s) and 3 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)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-?
The CAS number of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- is 79418-88-5.
What is the molecular formula of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-?
The molecular formula of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- is C21H16O3.
What is the molecular weight of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-?
The molecular weight of Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- is 316.11 g/mol.
Where can I buy Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-?
You can request a quote for Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-(hydroxymethyl)-, Trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.