AF-399/41668445
TL;DR: AF-399/41668445 (CAS 496776-07-9) is a chemical compound with molecular formula C22H16Cl2N4O2S and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: AF-399/41668445, 1-(2,4-dichlorophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(2,4-dichlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(2,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)-5-(3-pyridyl)(1,2,4-triazol-3-yl thio)]ethan-1-one, 1-(2,4-dichlorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C22H16Cl2N4O2S |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 5.6197 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0371 |
| Heavy Atoms | 31 |
| Complexity | 1214.1753 |
Chemical Identifiers
| CAS Number | 496776-07-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C4=CN=CC=C4 |
Product Overview
AF-399/41668445 (CAS 496776-07-9), with molecular formula C22H16Cl2N4O2S and molecular weight 470.04 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AF-399/41668445
Property Insights of AF-399/41668445
The XLogP value of 5.6197 indicates that AF-399/41668445 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-399/41668445. Following Lipinski's Rule of Five, AF-399/41668445 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-399/41668445?
The CAS number of AF-399/41668445 is 496776-07-9.
What is the molecular formula of AF-399/41668445?
The molecular formula of AF-399/41668445 is C22H16Cl2N4O2S.
What is the molecular weight of AF-399/41668445?
The molecular weight of AF-399/41668445 is 470.04 g/mol.
Where can I buy AF-399/41668445?
You can request a quote for AF-399/41668445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41668445?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41668445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.