![N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/6696/669697-30-7.webp)
N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 669697-30-7) is a chemical compound with molecular formula C20H19Cl2FN4OS and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chlorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H19Cl2FN4OS |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 5.7778 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.06406 |
| Heavy Atoms | 29 |
| Complexity | 1008.2158 |
Chemical Identifiers
| CAS Number | 669697-30-7 |
|---|---|
| SMILES | CC(C)CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 669697-30-7), with molecular formula C20H19Cl2FN4OS and molecular weight 452.06 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 5.7778 indicates that N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 4 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-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 669697-30-7.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is C20H19Cl2FN4OS.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is 452.06 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-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-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-[[5-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.