7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
TL;DR: 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene (CAS 95114-52-6) 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.
(7S,8S)-8-methyl-7H-benzo[a]pyrene-7,8-diol
Also Known As: 7,8-Ddmbp, KST-1A9106, 8-methyl-7H-benzo[a]pyrene-7,8-diol, (7s,8s)-8-methyl-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol, 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
| 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 | 95114-52-6 |
|---|---|
| SMILES | C[C@@]1(C=CC2=C([C@@H]1O)C=C3C=CC4=C5C3=C2C=CC5=CC=C4)O |
| InChIKey | HKORPCYPDGWFEZ-SFTDATJTSA-N |
Product Overview
7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene (CAS 95114-52-6), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: (7S,8S)-8-methyl-7H-benzo[a]pyrene-7,8-diol.
Chemical Property Profile of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
Property Insights of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene
The XLogP value of 4.1 indicates that 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene 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 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene?
The CAS number of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene is 95114-52-6.
What is the molecular formula of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene?
The molecular formula of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene is C21H16O2.
What is the molecular weight of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene?
The molecular weight of 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene is 300.12 g/mol.
Where can I buy 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene?
You can request a quote for 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydroxy-7,8-dihydro-8-methylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.