8-Methylbenzo(a)pyrene
TL;DR: 8-Methylbenzo(a)pyrene (CAS 63041-76-9) 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.
8-methylbenzo[a]pyrene
Also Known As: 8-methylbenzo[a]pyrene, 8-Methylbenzo(a)pyrene, 8-methylbenzo pyrene, 8-MeBaP, 8-MBaP
| Molecular Formula | C21H14 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 7.0 |
| 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 | 63041-76-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3 |
| InChIKey | DYXXRXZXTKRLFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Methylbenzo(a)pyrene (CAS 63041-76-9), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 8-methylbenzo[a]pyrene.
Chemical Property Profile of 8-Methylbenzo(a)pyrene
Property Insights of 8-Methylbenzo(a)pyrene
The XLogP value of 7.0 indicates that 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 0.0 Ų, 8-Methylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-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 8-Methylbenzo(a)pyrene?
The CAS number of 8-Methylbenzo(a)pyrene is 63041-76-9.
What is the molecular formula of 8-Methylbenzo(a)pyrene?
The molecular formula of 8-Methylbenzo(a)pyrene is C21H14.
What is the molecular weight of 8-Methylbenzo(a)pyrene?
The molecular weight of 8-Methylbenzo(a)pyrene is 266.11 g/mol.
Where can I buy 8-Methylbenzo(a)pyrene?
You can request a quote for 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 8-Methylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 8-Methylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.