![2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide structure](/static/products/5779/577983-28-9.webp)
2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
TL;DR: 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide (CAS 577983-28-9) is a chemical compound with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Also Known As: 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide, 2-((4-amino-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide, 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide, 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(3-chloro-4-methoxyph enyl)acetamide
| Molecular Formula | C18H18ClN5O2S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 3.36012 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.08698 |
| Heavy Atoms | 27 |
| Complexity | 958.88586 |
Chemical Identifiers
| CAS Number | 577983-28-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)OC)Cl |
Product Overview
2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide (CAS 577983-28-9), with molecular formula C18H18ClN5O2S and molecular weight 403.09 g/mol. IUPAC: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Property Insights of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
The XLogP value of 3.36012 indicates that 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
The CAS number of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is 577983-28-9.
What is the molecular formula of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
The molecular formula of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is C18H18ClN5O2S.
What is the molecular weight of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
The molecular weight of 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is 403.09 g/mol.
Where can I buy 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
You can request a quote for 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.