Methylbenzo(a)pyrene
TL;DR: Methylbenzo(a)pyrene (CAS 40568-90-9) 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.
1-methylbenzo[a]pyrene
Also Known As: 1-Methylbenzo(a)pyrene, 1-Methyl-BP, 1-Methylbenzopyrene, Methylbenzo(a)pyrene, 1-methylbenzo[a]pyrene
| 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 | 40568-90-9 |
|---|---|
| SMILES | CC1=C2C=CC3=C4C2=C(C=C1)C=CC4=CC5=CC=CC=C35 |
| InChIKey | WMAYPBMLSQKCHA-UHFFFAOYSA-N |
Product Overview
Methylbenzo(a)pyrene (CAS 40568-90-9), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 1-methylbenzo[a]pyrene.
Chemical Property Profile of Methylbenzo(a)pyrene
Property Insights of Methylbenzo(a)pyrene
The XLogP value of 7.0 indicates that 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, Methylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Methylbenzo(a)pyrene?
The CAS number of Methylbenzo(a)pyrene is 40568-90-9.
What is the molecular formula of Methylbenzo(a)pyrene?
The molecular formula of Methylbenzo(a)pyrene is C21H14.
What is the molecular weight of Methylbenzo(a)pyrene?
The molecular weight of Methylbenzo(a)pyrene is 266.11 g/mol.
Where can I buy Methylbenzo(a)pyrene?
You can request a quote for 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 Methylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for Methylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.