![N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide structure](/static/products/4728/4728-29-4.webp)
N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide
TL;DR: N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide (CAS 4728-29-4) is a chemical compound with molecular formula C12H5Cl3F3N5O3S and molecular weight 460.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trichloro-N-[3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]prop-2-enamide
Also Known As: N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide, 2,3,3-Trichloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazol-5-yl)prop-2-enamide, 2,3,3-trichloro-N-(5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1H-1,2,4-triazol-3-yl)prop-2-enamide, 2,3,3-trichloro-N-[3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]prop-2-enamide
| Molecular Formula | C12H5Cl3F3N5O3S |
|---|---|
| Molecular Weight | 460.91 g/mol |
| LogP | 4.7069 |
| Topological Polar Surface Area | 113.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.9131 |
| Heavy Atoms | 27 |
| Complexity | 930.4905 |
Chemical Identifiers
| CAS Number | 4728-29-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=NNC(=N2)NC(=O)C(=C(Cl)Cl)Cl |
Product Overview
N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide (CAS 4728-29-4), with molecular formula C12H5Cl3F3N5O3S and molecular weight 460.91 g/mol. IUPAC: 2,3,3-trichloro-N-[3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazol-5-yl]prop-2-enamide.
Chemical Property Profile of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide
Property Insights of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide
The XLogP value of 4.7069 indicates that N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide. Following Lipinski's Rule of Five, N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide has 2 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 N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide?
The CAS number of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide is 4728-29-4.
What is the molecular formula of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide?
The molecular formula of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide is C12H5Cl3F3N5O3S.
What is the molecular weight of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide?
The molecular weight of N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide is 460.91 g/mol.
Where can I buy N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide?
You can request a quote for N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(5-{[2-nitro-4-(trifluoromethyl)phenyl]thio}-1H-1,2,4-triazol-3-yl)-2,3,3-trichloroacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.