acetate structure](/static/products/795/79525-87-4.png)
Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate
TL;DR: Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate (CAS 79525-87-4) 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-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
Also Known As: ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate, BAS 05023853, Ethyl 2-((5-isobutyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoacetate, ethyl 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate, ETHYL {[5-(2-METHYLPROPYL)-1,3,4-THIADIAZOL-2-YL]CARBAMOYL}FORMATE
| Molecular Formula | C10H15N3O3S |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.2382 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0834 |
| Heavy Atoms | 17 |
| Complexity | 403.2553 |
Chemical Identifiers
| CAS Number | 79525-87-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NN=C(S1)CC(C)C |
Product Overview
Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate (CAS 79525-87-4), with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol. IUPAC: ethyl 2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate.
Chemical Property Profile of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate
Property Insights of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate
The XLogP value of 1.2382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate. Following Lipinski's Rule of Five, Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate 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 [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate?
The CAS number of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate is 79525-87-4.
What is the molecular formula of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate?
The molecular formula of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate is C10H15N3O3S.
What is the molecular weight of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate?
The molecular weight of Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate is 257.08 g/mol.
Where can I buy Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate?
You can request a quote for Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(5-isobutyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.