6-Ethylbenzo(a)pyrene
TL;DR: 6-Ethylbenzo(a)pyrene (CAS 78694-66-3) is a chemical compound with molecular formula C22H16 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethylbenzo[a]pyrene
Also Known As: 6-Ethylbenzo(a)pyrene, 6-ethylbenzo[a]pyrene, Benzo(a)pyrene, 6-ethyl-, 6-ethylbenzo[pqr]tetraphene, C22-H16
| Molecular Formula | C22H16 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.1252 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 78694-66-3 |
|---|---|
| SMILES | CCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51 |
| InChIKey | YKHQBWZLYZPKTR-UHFFFAOYSA-N |
Product Overview
6-Ethylbenzo(a)pyrene (CAS 78694-66-3), with molecular formula C22H16 and molecular weight 280.13 g/mol. IUPAC: 6-ethylbenzo[a]pyrene.
Chemical Property Profile of 6-Ethylbenzo(a)pyrene
Property Insights of 6-Ethylbenzo(a)pyrene
The XLogP value of 7.1 indicates that 6-Ethylbenzo(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-Ethylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethylbenzo(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-Ethylbenzo(a)pyrene?
The CAS number of 6-Ethylbenzo(a)pyrene is 78694-66-3.
What is the molecular formula of 6-Ethylbenzo(a)pyrene?
The molecular formula of 6-Ethylbenzo(a)pyrene is C22H16.
What is the molecular weight of 6-Ethylbenzo(a)pyrene?
The molecular weight of 6-Ethylbenzo(a)pyrene is 280.13 g/mol.
Where can I buy 6-Ethylbenzo(a)pyrene?
You can request a quote for 6-Ethylbenzo(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-Ethylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.