![ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate structure](/static/products/820/82077-86-9.png)
ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
TL;DR: ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (CAS 82077-86-9) is a chemical compound with molecular formula C9H6F3N3O3S and molecular weight 293.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
Also Known As: ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate, ethyl 7-oxo-2-(trifluoromethyl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate, Ethyl 7-oxo-2-(trifluoromethyl)-7H-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-carboxylate, 7H-1,3,4-Thiadiazolo[3,2-a]pyrimidine-5-carboxylic acid,7-oxo-2-(trifluoromethyl)-, ethyl ester, Ethyl 7-oxo-2-(trifluoromethyl)(7H)-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-carboxylate
| Molecular Formula | C9H6F3N3O3S |
|---|---|
| Molecular Weight | 293.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0082 |
| Heavy Atoms | 19 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 82077-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)N=C2N1N=C(S2)C(F)(F)F |
| InChIKey | DQKKSABMYSEKLC-UHFFFAOYSA-N |
Product Overview
ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (CAS 82077-86-9), with molecular formula C9H6F3N3O3S and molecular weight 293.01 g/mol. IUPAC: ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
Property Insights of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 8 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 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The CAS number of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is 82077-86-9.
What is the molecular formula of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The molecular formula of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is C9H6F3N3O3S.
What is the molecular weight of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The molecular weight of ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is 293.01 g/mol.
Where can I buy ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
You can request a quote for ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-oxo-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.