![4-Methylbenzo[a]pyrene structure](/static/products/1675/16757-83-8.webp)
4-Methylbenzo[a]pyrene
TL;DR: 4-Methylbenzo[a]pyrene (CAS 16757-83-8) 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.
4-methylbenzo[a]pyrene
Also Known As: 4-methylbenzo[a]pyrene, Benzo(a)pyrene, 4-methyl-, 4-Methylbenzo(a)pyren, 4-METHYLBENZO(A)PYRENE, 4-methyl-benzo[a]pyrene
| Molecular Formula | C21H14 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 6.4 |
| 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 | 16757-83-8 |
|---|---|
| SMILES | CC1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4 |
| InChIKey | VYWXLKZSEDZSCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzo[a]pyrene (CAS 16757-83-8), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 4-methylbenzo[a]pyrene.
Chemical Property Profile of 4-Methylbenzo[a]pyrene
Property Insights of 4-Methylbenzo[a]pyrene
The XLogP value of 6.4 indicates that 4-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, 4-Methylbenzo[a]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Methylbenzo[a]pyrene?
The CAS number of 4-Methylbenzo[a]pyrene is 16757-83-8.
What is the molecular formula of 4-Methylbenzo[a]pyrene?
The molecular formula of 4-Methylbenzo[a]pyrene is C21H14.
What is the molecular weight of 4-Methylbenzo[a]pyrene?
The molecular weight of 4-Methylbenzo[a]pyrene is 266.11 g/mol.
Where can I buy 4-Methylbenzo[a]pyrene?
You can request a quote for 4-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 4-Methylbenzo[a]pyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzo[a]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.