7-Methylbenzo(a)pyrene
TL;DR: 7-Methylbenzo(a)pyrene (CAS 63041-77-0) is a chemical compound with molecular formula C21H14 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylbenzo[a]pyrene
Also Known As: 7-Methylbenzo[a]pyrene, 7-Methylbenzo(a)pyrene, 4'-Methylbenzo(a)pyrene, 7-MeBaP, 7-Methylbenz[a]pyrene
| Molecular Formula | C21H14 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.10956 |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 63041-77-0 |
|---|---|
| SMILES | CC1=C2C=C3C=CC4=C5C3=C(C2=CC=C1)C=CC5=CC=C4 |
| InChIKey | PYVWGNPFWVQISD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Methylbenzo(a)pyrene (CAS 63041-77-0), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 7-methylbenzo[a]pyrene.
Chemical Property Profile of 7-Methylbenzo(a)pyrene
Property Insights of 7-Methylbenzo(a)pyrene
The XLogP value of 6.9 indicates that 7-Methylbenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7-Methylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methylbenzo(a)pyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Methylbenzo(a)pyrene?
The CAS number of 7-Methylbenzo(a)pyrene is 63041-77-0.
What is the molecular formula of 7-Methylbenzo(a)pyrene?
The molecular formula of 7-Methylbenzo(a)pyrene is C21H14.
What is the molecular weight of 7-Methylbenzo(a)pyrene?
The molecular weight of 7-Methylbenzo(a)pyrene is 266.11 g/mol.
Where can I buy 7-Methylbenzo(a)pyrene?
You can request a quote for 7-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-Methylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 7-Methylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.