AF-399/40924653
TL;DR: AF-399/40924653 (CAS 496022-96-9) is a chemical compound with molecular formula C22H22ClNOS and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone
Also Known As: AF-399/40924653, 2-[(4-chlorophenyl)sulfanyl]-1-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]ethanone, 2-(4-chlorophenyl)sulfanyl-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone, 1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-(4-chlorophenylthio)ethan-1-on e
| Molecular Formula | C22H22ClNOS |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 5.97604 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.11105 |
| Heavy Atoms | 26 |
| Complexity | 884.5106 |
Chemical Identifiers
| CAS Number | 496022-96-9 |
|---|---|
| SMILES | CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=CC=C(C=C3)Cl |
Product Overview
AF-399/40924653 (CAS 496022-96-9), with molecular formula C22H22ClNOS and molecular weight 383.11 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone.
Chemical Property Profile of AF-399/40924653
Property Insights of AF-399/40924653
The XLogP value of 5.97604 indicates that AF-399/40924653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, AF-399/40924653 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40924653 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40924653?
The CAS number of AF-399/40924653 is 496022-96-9.
What is the molecular formula of AF-399/40924653?
The molecular formula of AF-399/40924653 is C22H22ClNOS.
What is the molecular weight of AF-399/40924653?
The molecular weight of AF-399/40924653 is 383.11 g/mol.
Where can I buy AF-399/40924653?
You can request a quote for AF-399/40924653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40924653?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40924653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.