2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide
TL;DR: 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide (CAS 578697-46-8) is a chemical compound with molecular formula C17H15ClN4O2S and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-chlorophenyl)-2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide, 2-((4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-CHLOROPHENYL)ACETAMIDE, N-(3-chlorophenyl)-2-(5-(2-furyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio))acetam ide, 638-292-2
| Molecular Formula | C17H15ClN4O2S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 4.1083 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.06042 |
| Heavy Atoms | 25 |
| Complexity | 876.66754 |
Chemical Identifiers
| CAS Number | 578697-46-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CO3 |
Product Overview
2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide (CAS 578697-46-8), with molecular formula C17H15ClN4O2S and molecular weight 374.06 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide
Property Insights of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide
The XLogP value of 4.1083 indicates that 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 5 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-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide?
The CAS number of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide is 578697-46-8.
What is the molecular formula of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide?
The molecular formula of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide is C17H15ClN4O2S.
What is the molecular weight of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide?
The molecular weight of 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide is 374.06 g/mol.
Where can I buy 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide?
You can request a quote for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)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-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.