1-Methylbenzo(e)pyrene
TL;DR: 1-Methylbenzo(e)pyrene (CAS 94537-20-9) 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[e]pyrene
Also Known As: Methylbenzopyrene, Benzopyrene, methyl-, Methylbenzpyren, 1-Mbep, 1-Methylbenzo(e)pyrene
| Molecular Formula | C21H14 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 6.1 |
| 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 | 94537-20-9 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C4=CC=CC5=C4C2=C(C=C1)C=C5 |
| InChIKey | XDJHCQPWMRCILL-UHFFFAOYSA-N |
Product Overview
1-Methylbenzo(e)pyrene (CAS 94537-20-9), with molecular formula C21H14 and molecular weight 266.11 g/mol. IUPAC: 8-methylbenzo[e]pyrene.
Chemical Property Profile of 1-Methylbenzo(e)pyrene
Property Insights of 1-Methylbenzo(e)pyrene
The XLogP value of 6.1 indicates that 1-Methylbenzo(e)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, 1-Methylbenzo(e)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbenzo(e)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 1-Methylbenzo(e)pyrene?
The CAS number of 1-Methylbenzo(e)pyrene is 94537-20-9.
What is the molecular formula of 1-Methylbenzo(e)pyrene?
The molecular formula of 1-Methylbenzo(e)pyrene is C21H14.
What is the molecular weight of 1-Methylbenzo(e)pyrene?
The molecular weight of 1-Methylbenzo(e)pyrene is 266.11 g/mol.
Where can I buy 1-Methylbenzo(e)pyrene?
You can request a quote for 1-Methylbenzo(e)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbenzo(e)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.