6-Methylbenzo(a)pyrene
TL;DR: 6-Methylbenzo(a)pyrene (CAS 2381-39-7) 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.
6-methylbenzo[a]pyrene
Also Known As: 6-methylbenzo[a]pyrene, 6-METHYLBENZO(A)PYRENE, Methylbenzoprene, 5-Methyl-3,4-benzpyrene, Benzo(a)pyrene, 6-methyl-
| Molecular Formula | C21H14 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 6.0 |
| 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 | 2381-39-7 |
|---|---|
| SMILES | CC1=C2C=CC3=C4C2=C(C=CC4=CC=C3)C5=CC=CC=C15 |
| InChIKey | YFYHJNJCAGHSFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methylbenzo(a)pyrene (CAS 2381-39-7), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 6-methylbenzo[a]pyrene.
Chemical Property Profile of 6-Methylbenzo(a)pyrene
Property Insights of 6-Methylbenzo(a)pyrene
The XLogP value of 6.0 indicates that 6-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, 6-Methylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-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 6-Methylbenzo(a)pyrene?
The CAS number of 6-Methylbenzo(a)pyrene is 2381-39-7.
What is the molecular formula of 6-Methylbenzo(a)pyrene?
The molecular formula of 6-Methylbenzo(a)pyrene is C21H14.
What is the molecular weight of 6-Methylbenzo(a)pyrene?
The molecular weight of 6-Methylbenzo(a)pyrene is 266.11 g/mol.
Where can I buy 6-Methylbenzo(a)pyrene?
You can request a quote for 6-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 6-Methylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.