AF-399/41668471
TL;DR: AF-399/41668471 (CAS 496776-34-2) is a chemical compound with molecular formula C22H18Cl2N4O2S and molecular weight 472.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: AF-399/41668471, 1-(2,4-dichlorophenyl)-2-({4-ethyl-5-[(8-quinolinyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(2,4-dichlorophenyl)-2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(2,4-dichlorophenyl)-2-({4-ethyl-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(2,4-dichlorophenyl)-2-[4-ethyl-5-(8-quinolyloxymethyl)(1,2,4-triazol-3-ylth io)]ethan-1-one
| Molecular Formula | C22H18Cl2N4O2S |
|---|---|
| Molecular Weight | 472.05 g/mol |
| LogP | 5.707 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.05276 |
| Heavy Atoms | 31 |
| Complexity | 1240.1483 |
Chemical Identifiers
| CAS Number | 496776-34-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=C(C=C(C=C2)Cl)Cl)COC3=CC=CC4=C3N=CC=C4 |
Product Overview
AF-399/41668471 (CAS 496776-34-2), with molecular formula C22H18Cl2N4O2S and molecular weight 472.05 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AF-399/41668471
Property Insights of AF-399/41668471
The XLogP value of 5.707 indicates that AF-399/41668471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41668471. Following Lipinski's Rule of Five, AF-399/41668471 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41668471?
The CAS number of AF-399/41668471 is 496776-34-2.
What is the molecular formula of AF-399/41668471?
The molecular formula of AF-399/41668471 is C22H18Cl2N4O2S.
What is the molecular weight of AF-399/41668471?
The molecular weight of AF-399/41668471 is 472.05 g/mol.
Where can I buy AF-399/41668471?
You can request a quote for AF-399/41668471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41668471?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41668471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.