![2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide structure](/static/products/7082/708283-59-4.webp)
2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
TL;DR: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide (CAS 708283-59-4) is a chemical compound with molecular formula C21H21ClN4O2S and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
Also Known As: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide, 2-{5-[(4-chlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C21H21ClN4O2S |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.5996 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.10736 |
| Heavy Atoms | 29 |
| Complexity | 988.6011 |
Chemical Identifiers
| CAS Number | 708283-59-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl |
Product Overview
2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide (CAS 708283-59-4), with molecular formula C21H21ClN4O2S and molecular weight 428.11 g/mol. IUPAC: 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
Property Insights of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
The XLogP value of 4.5996 indicates that 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide has 1 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-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide?
The CAS number of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide is 708283-59-4.
What is the molecular formula of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide?
The molecular formula of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide is C21H21ClN4O2S.
What is the molecular weight of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide?
The molecular weight of 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide is 428.11 g/mol.
Where can I buy 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide?
You can request a quote for 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-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-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.