![N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/861/861638-56-4.png)
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861638-56-4) is a chemical compound with molecular formula C23H17Cl2FN4O2S and molecular weight 502.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-4-fluorophenyl)-2-((4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-[4-(4-chlorophenyl)-5-(3-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)]acetamide
| Molecular Formula | C23H17Cl2FN4O2S |
|---|---|
| Molecular Weight | 502.04 g/mol |
| LogP | 6.1196 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.04333 |
| Heavy Atoms | 33 |
| Complexity | 1298.1234 |
Chemical Identifiers
| CAS Number | 861638-56-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC(=C(C=C4)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861638-56-4), with molecular formula C23H17Cl2FN4O2S and molecular weight 502.04 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 6.1196 indicates that N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 861638-56-4.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C23H17Cl2FN4O2S.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 502.04 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.