4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
TL;DR: 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 896820-87-4) is a chemical compound with molecular formula C19H19N5O2S2 and molecular weight 413.10 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-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-{2-[4-prop-2-enyl-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acetylamino}ben zamide, 4-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C19H19N5O2S2 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 2.9461 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.09802 |
| Heavy Atoms | 28 |
| Complexity | 964.88776 |
Chemical Identifiers
| CAS Number | 896820-87-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)CC3=CC=CS3 |
Product Overview
4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 896820-87-4), with molecular formula C19H19N5O2S2 and molecular weight 413.10 g/mol. IUPAC: 4-[[2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
Property Insights of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
The XLogP value of 2.9461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide. Following Lipinski's Rule of Five, 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The CAS number of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 896820-87-4.
What is the molecular formula of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular formula of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is C19H19N5O2S2.
What is the molecular weight of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular weight of 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 413.10 g/mol.
Where can I buy 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
You can request a quote for 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.