2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
TL;DR: 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 849005-45-4) is a chemical compound with molecular formula C20H19ClN4OS and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide, 2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C20H19ClN4OS |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.82372 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.0968 |
| Heavy Atoms | 27 |
| Complexity | 952.8705 |
Chemical Identifiers
| CAS Number | 849005-45-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Cl |
Product Overview
2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide (CAS 849005-45-4), with molecular formula C20H19ClN4OS and molecular weight 398.10 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
Property Insights of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide
The XLogP value of 4.82372 indicates that 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)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-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)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-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
The CAS number of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide is 849005-45-4.
What is the molecular formula of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
The molecular formula of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide is C20H19ClN4OS.
What is the molecular weight of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
The molecular weight of 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide is 398.10 g/mol.
Where can I buy 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
You can request a quote for 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)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-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.