![2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide structure](/static/products/5404/540498-73-5.webp)
2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide
TL;DR: 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide (CAS 540498-73-5) is a chemical compound with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Also Known As: 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide, 2-{[4-ALLYL-5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE, 2-{[4-ALLYL-5-(1H-BENZOTRIAZOL-1-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE, 2-((4-Allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide, 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
| Molecular Formula | C21H20ClN7OS |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 3.94972 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.11386 |
| Heavy Atoms | 31 |
| Complexity | 1249.7458 |
Chemical Identifiers
| CAS Number | 540498-73-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CN3C4=CC=CC=C4N=N3 |
Product Overview
2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide (CAS 540498-73-5), with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol. IUPAC: 2-[[5-(benzotriazol-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide
Property Insights of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide
The XLogP value of 3.94972 indicates that 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide has 1 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 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide?
The CAS number of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide is 540498-73-5.
What is the molecular formula of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide?
The molecular formula of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide is C21H20ClN7OS.
What is the molecular weight of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide?
The molecular weight of 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide is 453.11 g/mol.
Where can I buy 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide?
You can request a quote for 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-allyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.