Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-
TL;DR: Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- (CAS 83572-63-8) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R)-7-methyl-8H-benzo[a]pyrene-7,8-diol
Also Known As: Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-, (7R-trans)-7,8-Dihydro-7-methylbenzo(a)pyrene-7,8-diol, 7,8-Dihydro-7-methylbenzo(a)pyrene-7,8-diol (7R-trans)-, (7R,8R)-7-methyl-8H-benzo[a]pyrene-7,8-diol, (7R,8R)-7-Methyl-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 83572-63-8 |
|---|---|
| SMILES | C[C@@]1([C@@H](C=CC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O)O |
| InChIKey | FCKDZCPFYXNFLB-WIYYLYMNSA-N |
Product Overview
Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- (CAS 83572-63-8), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: (7R,8R)-7-methyl-8H-benzo[a]pyrene-7,8-diol.
Chemical Property Profile of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-
Property Insights of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-
The XLogP value of 4.1 indicates that Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- 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(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- 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(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-?
The CAS number of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- is 83572-63-8.
What is the molecular formula of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-?
The molecular formula of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- is C21H16O2.
What is the molecular weight of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-?
The molecular weight of Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- is 300.12 g/mol.
Where can I buy Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-?
You can request a quote for Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-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-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7,8-diol, 7,8-dihydro-7-methyl-, (7R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.