2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide
TL;DR: 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide (CAS 708216-53-9) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide, N-ethyl-2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, N-ethyl-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide, N-ethyl-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.9819 |
| Topological Polar Surface Area | 71.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 956.04926 |
Chemical Identifiers
| CAS Number | 708216-53-9 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3O |
Product Overview
2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide (CAS 708216-53-9), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: N-ethyl-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide
Property Insights of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide
The XLogP value of 3.9819 indicates that 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide 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-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide?
The CAS number of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide is 708216-53-9.
What is the molecular formula of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide?
The molecular formula of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide is C21H22N4O2S.
What is the molecular weight of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide?
The molecular weight of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide is 394.15 g/mol.
Where can I buy 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide?
You can request a quote for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide 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-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-ethyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.