(E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
TL;DR: (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 849018-29-7) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-({3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-5-yl}sulfanyl)-N-phenylacetamide, 2-[[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.7231 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 957.0945 |
Chemical Identifiers
| CAS Number | 849018-29-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3)OC |
Product Overview
(E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 849018-29-7), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 2-[[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
Property Insights of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
The XLogP value of 3.7231 indicates that (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide 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 (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The CAS number of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 849018-29-7.
What is the molecular formula of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular formula of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is C20H20N4O3S.
What is the molecular weight of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular weight of (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 396.13 g/mol.
Where can I buy (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
You can request a quote for (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3,4-dimethoxystyryl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.