Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-
TL;DR: Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans- (CAS 94849-95-3) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7S,8S)-7-methyl-9,10-dihydro-8H-benzo[a]pyrene-7,8-diol
Also Known As: Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-, trans-7-Methyl-7,8,9,10-tetrahydrobenzo(a)pyrene-7,8-diol, (7s,8s)-7-methyl-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8-diol, (7S,8S)-7-methyl-9,10-dihydro-8H-benzo[a]pyrene-7,8-diol, Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, cis-
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 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 | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 94849-95-3 |
|---|---|
| SMILES | C[C@]1([C@H](CCC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O)O |
| InChIKey | FMALTBPUQYDUQB-RXVVDRJESA-N |
Product Overview
Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans- (CAS 94849-95-3), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (7S,8S)-7-methyl-9,10-dihydro-8H-benzo[a]pyrene-7,8-diol.
Chemical Property Profile of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-
Property Insights of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-
The XLogP value of 4.1 indicates that Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, 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, 7,8,9,10-tetrahydro-7-methyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, 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, 7,8,9,10-tetrahydro-7-methyl-, trans-?
The CAS number of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans- is 94849-95-3.
What is the molecular formula of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-?
The molecular formula of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans- is C21H18O2.
What is the molecular weight of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-?
The molecular weight of Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans- is 302.13 g/mol.
Where can I buy Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans-?
You can request a quote for Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, 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, 7,8,9,10-tetrahydro-7-methyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7,8-diol, 7,8,9,10-tetrahydro-7-methyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.