(trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol
TL;DR: (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol (CAS 79418-89-6) 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.
(9S,10S)-7-methyl-9,10-dihydrobenzo[a]pyrene-9,10-diol
Also Known As: (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol, (9S,10S)-7-methyl-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol, trans-7-Methyl-9,10-dihydro-9,10-dihydroxybemzo(a)pyrene, 7-Methyl-9,10-dihydrobenzo[pqr]tetraphene-9,10-diol, Benzo(a)pyrene-9,10-diol, 9,10-dihydro-7-methyl-, trans-
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 3.8 |
| 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 | 512.0 |
Chemical Identifiers
| CAS Number | 79418-89-6 |
|---|---|
| SMILES | CC1=C[C@@H]([C@H](C2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O)O |
| InChIKey | CFZQOIPNDSZDJS-LAUBAEHRSA-N |
Product Overview
(trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol (CAS 79418-89-6), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: (9S,10S)-7-methyl-9,10-dihydrobenzo[a]pyrene-9,10-diol.
Chemical Property Profile of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol
Property Insights of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol
The XLogP value of 3.8 indicates that (trans)-9,10-Dihydro-7-methylbenzo(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, (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (trans)-9,10-Dihydro-7-methylbenzo(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 (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol?
The CAS number of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol is 79418-89-6.
What is the molecular formula of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol?
The molecular formula of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol is C21H16O2.
What is the molecular weight of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol?
The molecular weight of (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol is 300.12 g/mol.
Where can I buy (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol?
You can request a quote for (trans)-9,10-Dihydro-7-methylbenzo(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 (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol?
Yes, KEHONG BIO provides custom synthesis services for (trans)-9,10-Dihydro-7-methylbenzo(a)pyrene-9,10-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.