![2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide structure](/static/products/862/862105-06-4.png)
2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
TL;DR: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide (CAS 862105-06-4) is a chemical compound with molecular formula C21H20ClN5O2S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide, N-(4-acetamidophenyl)-2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-[5-(3-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol-3- ylthio)]acetamide, N-[4-(acetylamino)phenyl]-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H20ClN5O2S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 4.4737 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.10263 |
| Heavy Atoms | 30 |
| Complexity | 1065.5137 |
Chemical Identifiers
| CAS Number | 862105-06-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Cl |
Product Overview
2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide (CAS 862105-06-4), with molecular formula C21H20ClN5O2S and molecular weight 441.10 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
Property Insights of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide
The XLogP value of 4.4737 indicates that 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)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-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The CAS number of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is 862105-06-4.
What is the molecular formula of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The molecular formula of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is C21H20ClN5O2S.
What is the molecular weight of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
The molecular weight of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide is 441.10 g/mol.
Where can I buy 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
You can request a quote for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)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-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.