Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
TL;DR: Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 392318-58-0) is a chemical compound with molecular formula C19H25N3O6S2 and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(3,4,5-triethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate, F0417-2086, Ethyl 2-[[5-[(3,4,5-triethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl 2-{[5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
| Molecular Formula | C19H25N3O6S2 |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 3.6417 |
| Topological Polar Surface Area | 108.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 455.11847 |
| Heavy Atoms | 30 |
| Complexity | 831.54047 |
Chemical Identifiers
| CAS Number | 392318-58-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)SCC(=O)OCC |
Product Overview
Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 392318-58-0), with molecular formula C19H25N3O6S2 and molecular weight 455.12 g/mol. IUPAC: ethyl 2-[[5-[(3,4,5-triethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
Property Insights of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
The XLogP value of 3.6417 indicates that Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 10 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-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The CAS number of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is 392318-58-0.
What is the molecular formula of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is C19H25N3O6S2.
What is the molecular weight of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is 455.12 g/mol.
Where can I buy Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)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-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(3,4,5-triethoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.