4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide
TL;DR: 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide (CAS 573936-52-4) is a chemical compound with molecular formula C18H17N5O2S2 and molecular weight 399.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
Also Known As: 4-[({[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-(2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide, 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide, 4-[2-(4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide
| Molecular Formula | C18H17N5O2S2 |
|---|---|
| Molecular Weight | 399.08 g/mol |
| LogP | 3.0223 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.08237 |
| Heavy Atoms | 27 |
| Complexity | 948.8046 |
Chemical Identifiers
| CAS Number | 573936-52-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=CS3 |
Product Overview
4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide (CAS 573936-52-4), with molecular formula C18H17N5O2S2 and molecular weight 399.08 g/mol. IUPAC: 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide
Property Insights of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide
The XLogP value of 3.0223 indicates that 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide. Following Lipinski's Rule of Five, 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide 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 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide?
The CAS number of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide is 573936-52-4.
What is the molecular formula of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide?
The molecular formula of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide is C18H17N5O2S2.
What is the molecular weight of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide?
The molecular weight of 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide is 399.08 g/mol.
Where can I buy 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide?
You can request a quote for 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.