Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate
TL;DR: Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate (CAS 79525-86-3) is a chemical compound with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoacetate
Also Known As: ethyl 2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoacetate, ethyl [(5-butyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate, ethyl [N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]formate, ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate, ETHYL [(5-BUTYL-1,3,4-THIADIAZOL-2-YL)CARBAMOYL]FORMATE
| Molecular Formula | C10H15N3O3S |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.3823 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0834 |
| Heavy Atoms | 17 |
| Complexity | 391.90277 |
Chemical Identifiers
| CAS Number | 79525-86-3 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)C(=O)OCC |
Product Overview
Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate (CAS 79525-86-3), with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol. IUPAC: ethyl 2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate
Property Insights of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate
The XLogP value of 1.3823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate has 1 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 Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate?
The CAS number of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate is 79525-86-3.
What is the molecular formula of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate?
The molecular formula of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate is C10H15N3O3S.
What is the molecular weight of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate?
The molecular weight of Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate is 257.08 g/mol.
Where can I buy Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate?
You can request a quote for Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate 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-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.