![Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate structure](/static/products/100/1003365-46-5.png)
Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
TL;DR: Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate (CAS 1003365-46-5) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate, Acetic acid, 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.6067 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 943.8788 |
Chemical Identifiers
| CAS Number | 1003365-46-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3 |
Product Overview
Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate (CAS 1003365-46-5), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Property Insights of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
The XLogP value of 3.6067 indicates that Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate has 0 hydrogen bond donor(s) and 7 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 Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
The CAS number of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate is 1003365-46-5.
What is the molecular formula of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
The molecular formula of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate is C20H21N3O4S.
What is the molecular weight of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
The molecular weight of Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate is 399.13 g/mol.
Where can I buy Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
You can request a quote for Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.