![N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/3297/329778-13-4.webp)
N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 329778-13-4) is a chemical compound with molecular formula C12H9ClF3N5O3S and molecular weight 395.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chloro-3-nitrophenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-3-nitro-phenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-3-nitrophenyl)-2-[4-methyl-5-(trifluoromethyl)(1,2,4-triazol-3-ylt hio)]acetamide, N-(4-Chloro-3-nitrophenyl)-2-{4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-ylsulfanyl}acetamide
| Molecular Formula | C12H9ClF3N5O3S |
|---|---|
| Molecular Weight | 395.01 g/mol |
| LogP | 3.1263 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.00668 |
| Heavy Atoms | 25 |
| Complexity | 826.81244 |
Chemical Identifiers
| CAS Number | 329778-13-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(F)(F)F |
Product Overview
N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 329778-13-4), with molecular formula C12H9ClF3N5O3S and molecular weight 395.01 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.1263 indicates that N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-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 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 329778-13-4.
What is the molecular formula of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C12H9ClF3N5O3S.
What is the molecular weight of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 395.01 g/mol.
Where can I buy N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-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-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.