2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide
TL;DR: 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide (CAS 573705-89-2) is a chemical compound with molecular formula C24H22N4O2S2 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenylmethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide, 2-{[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[4-(BENZYLOXY)PHENYL]ACETAMIDE, N-(4-phenylmethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[4-(benzyloxy)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-(benzyloxy)phenyl)acetamide
| Molecular Formula | C24H22N4O2S2 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 5.5024 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.1184 |
| Heavy Atoms | 32 |
| Complexity | 1156.7045 |
Chemical Identifiers
| CAS Number | 573705-89-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CS4 |
Product Overview
2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide (CAS 573705-89-2), with molecular formula C24H22N4O2S2 and molecular weight 462.12 g/mol. IUPAC: N-(4-phenylmethoxyphenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide
Property Insights of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide
The XLogP value of 5.5024 indicates that 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide?
The CAS number of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is 573705-89-2.
What is the molecular formula of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide?
The molecular formula of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is C24H22N4O2S2.
What is the molecular weight of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide?
The molecular weight of 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is 462.12 g/mol.
Where can I buy 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide?
You can request a quote for 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)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-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.