![2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide structure](/static/products/843/843631-96-9.png)
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide
TL;DR: 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide (CAS 843631-96-9) is a chemical compound with molecular formula C21H25N5O4S and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide, 2-((4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethylphenyl)acetamide, 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide, 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
| Molecular Formula | C21H25N5O4S |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 3.03234 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.16272 |
| Heavy Atoms | 31 |
| Complexity | 1074.3644 |
Chemical Identifiers
| CAS Number | 843631-96-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC)C |
Product Overview
2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide (CAS 843631-96-9), with molecular formula C21H25N5O4S and molecular weight 443.16 g/mol. IUPAC: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide
Property Insights of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide
The XLogP value of 3.03234 indicates that 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide has 2 hydrogen bond donor(s) and 8 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-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide?
The CAS number of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide is 843631-96-9.
What is the molecular formula of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide?
The molecular formula of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide is C21H25N5O4S.
What is the molecular weight of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide?
The molecular weight of 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide is 443.16 g/mol.
Where can I buy 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide?
You can request a quote for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl 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-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-dimethyl phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.