![2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide structure](/static/products/5869/586997-55-9.webp)
2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide
TL;DR: 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide (CAS 586997-55-9) is a chemical compound with molecular formula C18H18ClN5O3S and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
Also Known As: 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide, 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide, 2-((4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide, 2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
| Molecular Formula | C18H18ClN5O3S |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 3.0603 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.08188 |
| Heavy Atoms | 28 |
| Complexity | 995.1025 |
Chemical Identifiers
| CAS Number | 586997-55-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)Cl)OC |
Product Overview
2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide (CAS 586997-55-9), with molecular formula C18H18ClN5O3S and molecular weight 419.08 g/mol. IUPAC: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide
Property Insights of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide
The XLogP value of 3.0603 indicates that 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide has 2 hydrogen bond donor(s) and 7 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-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide?
The CAS number of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide is 586997-55-9.
What is the molecular formula of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide?
The molecular formula of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide is C18H18ClN5O3S.
What is the molecular weight of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide?
The molecular weight of 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide is 419.08 g/mol.
Where can I buy 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide?
You can request a quote for 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) 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-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,4-dimethoxyphenyl) acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.