Benzo(a)pyren-3-ol, 7-methyl-
TL;DR: Benzo(a)pyren-3-ol, 7-methyl- (CAS 79418-83-0) is a chemical compound with molecular formula C21H14O and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylbenzo[a]pyren-3-ol
Also Known As: Benzo(a)pyren-3-ol, 7-methyl-, 7-methylbenzo[a]pyren-3-ol, 7-methylbenzo[pqr]tetraphen-3-ol
| Molecular Formula | C21H14O |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.10446 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 79418-83-0 |
|---|---|
| SMILES | CC1=C2C=C3C=CC4=C(C=CC5=C4C3=C(C2=CC=C1)C=C5)O |
| InChIKey | SICNFFZLNVZEST-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyren-3-ol, 7-methyl- (CAS 79418-83-0), with molecular formula C21H14O and molecular weight 282.10 g/mol. IUPAC: 7-methylbenzo[a]pyren-3-ol.
Chemical Property Profile of Benzo(a)pyren-3-ol, 7-methyl-
Property Insights of Benzo(a)pyren-3-ol, 7-methyl-
The XLogP value of 6.3 indicates that Benzo(a)pyren-3-ol, 7-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benzo(a)pyren-3-ol, 7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyren-3-ol, 7-methyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(a)pyren-3-ol, 7-methyl-?
The CAS number of Benzo(a)pyren-3-ol, 7-methyl- is 79418-83-0.
What is the molecular formula of Benzo(a)pyren-3-ol, 7-methyl-?
The molecular formula of Benzo(a)pyren-3-ol, 7-methyl- is C21H14O.
What is the molecular weight of Benzo(a)pyren-3-ol, 7-methyl-?
The molecular weight of Benzo(a)pyren-3-ol, 7-methyl- is 282.10 g/mol.
Where can I buy Benzo(a)pyren-3-ol, 7-methyl-?
You can request a quote for Benzo(a)pyren-3-ol, 7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyren-3-ol, 7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyren-3-ol, 7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.