![2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide structure](/static/products/862/862105-13-3.png)
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide
TL;DR: 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide (CAS 862105-13-3) is a chemical compound with molecular formula C22H22ClN5O3S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-((4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-[5-(4-chlorophenyl)-4-prop-2-enyl(1,2,4- triazol-3-ylthio)]acetamide, N-[5-(acetylamino)-2-methoxyphenyl]-2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H22ClN5O3S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 4.4823 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.1132 |
| Heavy Atoms | 32 |
| Complexity | 1131.095 |
Chemical Identifiers
| CAS Number | 862105-13-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl |
Product Overview
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide (CAS 862105-13-3), with molecular formula C22H22ClN5O3S and molecular weight 471.11 g/mol. IUPAC: N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide
Property Insights of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide
The XLogP value of 4.4823 indicates that 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-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-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide?
The CAS number of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide is 862105-13-3.
What is the molecular formula of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide?
The molecular formula of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide is C22H22ClN5O3S.
What is the molecular weight of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide?
The molecular weight of 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide is 471.11 g/mol.
Where can I buy 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide?
You can request a quote for 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-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-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-acetamido-2-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.