![2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide structure](/static/products/5869/586992-46-3.webp)
2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide
TL;DR: 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide (CAS 586992-46-3) is a chemical compound with molecular formula C18H15ClF3N5O2S and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide, 2-((4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide, 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-{[4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H15ClF3N5O2S |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 4.0705 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.05872 |
| Heavy Atoms | 30 |
| Complexity | 1056.9657 |
Chemical Identifiers
| CAS Number | 586992-46-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide (CAS 586992-46-3), with molecular formula C18H15ClF3N5O2S and molecular weight 457.06 g/mol. IUPAC: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide
Property Insights of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide
The XLogP value of 4.0705 indicates that 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide 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 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide?
The CAS number of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide is 586992-46-3.
What is the molecular formula of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide?
The molecular formula of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide is C18H15ClF3N5O2S.
What is the molecular weight of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide?
The molecular weight of 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide is 457.06 g/mol.
Where can I buy 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide?
You can request a quote for 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(trifluo romethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.