![ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate structure](/static/products/1483/148367-88-8.webp)
ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
TL;DR: ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-88-8) is a chemical compound with molecular formula C13H8ClF3N4O2S and molecular weight 376.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Also Known As: ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate, ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,, ETHYL 4-[4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]-5-CYA NAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLAT, Ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cya namide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, Ethyl (5Z)-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
| Molecular Formula | C13H8ClF3N4O2S |
|---|---|
| Molecular Weight | 376.00 g/mol |
| LogP | 3.16448 |
| Topological Polar Surface Area | 80.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.00085 |
| Heavy Atoms | 24 |
| Complexity | 882.5627 |
Chemical Identifiers
| CAS Number | 148367-88-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=C(C=C(C=C2)Cl)C(F)(F)F |
Product Overview
ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-88-8), with molecular formula C13H8ClF3N4O2S and molecular weight 376.00 g/mol. IUPAC: ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Property Insights of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 3.16448 indicates that ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate has 0 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 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The CAS number of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 148367-88-8.
What is the molecular formula of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is C13H8ClF3N4O2S.
What is the molecular weight of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 376.00 g/mol.
Where can I buy ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.