![2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide structure](/static/products/762/762256-96-2.png)
2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide
TL;DR: 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide (CAS 762256-96-2) is a chemical compound with molecular formula C14H15ClN4O2S and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C14H15ClN4O2S |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 2.2739 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.06042 |
| Heavy Atoms | 22 |
| Complexity | 657.3625 |
Chemical Identifiers
| CAS Number | 762256-96-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)Cl |
Product Overview
2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide (CAS 762256-96-2), with molecular formula C14H15ClN4O2S and molecular weight 338.06 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide
Property Insights of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide
The XLogP value of 2.2739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide. Following Lipinski's Rule of Five, 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}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-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide?
The CAS number of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide is 762256-96-2.
What is the molecular formula of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide?
The molecular formula of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide is C14H15ClN4O2S.
What is the molecular weight of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide?
The molecular weight of 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide is 338.06 g/mol.
Where can I buy 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide?
You can request a quote for 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}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-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(4-Chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.