2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
TL;DR: 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 332175-49-2) is a chemical compound with molecular formula C19H17ClN4OS and molecular weight 384.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01279961, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide, 2-(4-Allyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-chloro-phenyl)-acetamide, N-(4-chlorophenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
| Molecular Formula | C19H17ClN4OS |
|---|---|
| Molecular Weight | 384.08 g/mol |
| LogP | 4.5153 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.08115 |
| Heavy Atoms | 26 |
| Complexity | 893.6624 |
Chemical Identifiers
| CAS Number | 332175-49-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 332175-49-2), with molecular formula C19H17ClN4OS and molecular weight 384.08 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
Property Insights of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
The XLogP value of 4.5153 indicates that 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The CAS number of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is 332175-49-2.
What is the molecular formula of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The molecular formula of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is C19H17ClN4OS.
What is the molecular weight of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The molecular weight of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is 384.08 g/mol.
Where can I buy 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
You can request a quote for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.