![2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide structure](/static/products/5383/538337-20-1.webp)
2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
TL;DR: 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide (CAS 538337-20-1) is a chemical compound with molecular formula C21H22ClN5O2S and molecular weight 443.12 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-(3-methoxyphenyl)acetamide
Also Known As: 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide, 2-((4-Allyl-5-(((3-chlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-((4-Allyl-5-((3-chloroanilino)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-methoxyphenyl)acetamide, 2-(5-{[(3-chlorophenyl)amino]methyl}-4-prop-2-enyl(1,2,4-triazol-3-ylthio))-N- (3-methoxyphenyl)acetamide, 2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C21H22ClN5O2S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 4.469 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.1183 |
| Heavy Atoms | 30 |
| Complexity | 1024.1362 |
Chemical Identifiers
| CAS Number | 538337-20-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=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-(3-methoxyphenyl)acetamide (CAS 538337-20-1), with molecular formula C21H22ClN5O2S and molecular weight 443.12 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Property Insights of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
The XLogP value of 4.469 indicates that 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 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-(3-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide has 2 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-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
The CAS number of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is 538337-20-1.
What is the molecular formula of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
The molecular formula of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is C21H22ClN5O2S.
What is the molecular weight of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
The molecular weight of 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide is 443.12 g/mol.
Where can I buy 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide?
You can request a quote for 2-({4-allyl-5-[(3-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.