![2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide structure](/static/products/5383/538337-19-8.webp)
2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
TL;DR: 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide (CAS 538337-19-8) is a chemical compound with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide, 2-((4-Allyl-5-(((3-chlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide, 2-((4-Allyl-5-((3-chloroanilino)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methylphenyl)acetamide, 2-(5-{[(3-chlorophenyl)amino]methyl}-4-prop-2-enyl(1,2,4-triazol-3-ylthio))-N- (2-methylphenyl)acetamide, 2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C21H22ClN5OS |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.76882 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.12335 |
| Heavy Atoms | 29 |
| Complexity | 1004.24146 |
Chemical Identifiers
| CAS Number | 538337-19-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=CC=C3)Cl |
Product Overview
2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide (CAS 538337-19-8), with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Property Insights of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
The XLogP value of 4.76882 indicates that 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide has 2 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-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide?
The CAS number of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide is 538337-19-8.
What is the molecular formula of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide?
The molecular formula of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide is C21H22ClN5OS.
What is the molecular weight of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide?
The molecular weight of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide is 427.12 g/mol.
Where can I buy 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide?
You can request a quote for 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(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-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.