![9-Methylbenzo[a]pyrene structure](/static/products/7064/70644-19-8.webp)
9-Methylbenzo[a]pyrene
TL;DR: 9-Methylbenzo[a]pyrene (CAS 70644-19-8) 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.
9-methylbenzo[a]pyrene
Also Known As: 9-methylbenzo[a]pyrene, 9-Methylbenzo(a)pyrene, 9-Methylbenzo[pqr]tetraphene, BENZO(a)PYRENE, 9-METHYL-, Benzo[a]pyrene, 9-methyl-
| 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 | 70644-19-8 |
|---|---|
| SMILES | CC1=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2C=C1 |
| InChIKey | PPGFLJQLUCRDDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Methylbenzo[a]pyrene (CAS 70644-19-8), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 9-methylbenzo[a]pyrene.
Chemical Property Profile of 9-Methylbenzo[a]pyrene
Property Insights of 9-Methylbenzo[a]pyrene
The XLogP value of 7.0 indicates that 9-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, 9-Methylbenzo[a]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-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 9-Methylbenzo[a]pyrene?
The CAS number of 9-Methylbenzo[a]pyrene is 70644-19-8.
What is the molecular formula of 9-Methylbenzo[a]pyrene?
The molecular formula of 9-Methylbenzo[a]pyrene is C21H14.
What is the molecular weight of 9-Methylbenzo[a]pyrene?
The molecular weight of 9-Methylbenzo[a]pyrene is 266.11 g/mol.
Where can I buy 9-Methylbenzo[a]pyrene?
You can request a quote for 9-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 9-Methylbenzo[a]pyrene?
Yes, KEHONG BIO provides custom synthesis services for 9-Methylbenzo[a]pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.