![ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE structure](/static/products/1005/1005633-91-9.webp)
ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE
TL;DR: ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE (CAS 1005633-91-9) is a chemical compound with molecular formula C14H12F2N4O3S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methylthiophene-2-carboxylate
Also Known As: ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE, ethyl 4-cyano-5-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(1-(difluoromethyl)-1H-pyrazole-5-carboxamido)-3-methylthiophene-2-carboxylate, Ethyl 4-cyano-5-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methyl-thiophene-2-carboxylate, ethyl 4-cyano-5-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methylthiophene-2-carboxylate
| Molecular Formula | C14H12F2N4O3S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 2.9488 |
| Topological Polar Surface Area | 97.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0598 |
| Heavy Atoms | 24 |
| Complexity | 822.58655 |
Chemical Identifiers
| CAS Number | 1005633-91-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=NN2C(F)F)C#N)C |
Product Overview
ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE (CAS 1005633-91-9), with molecular formula C14H12F2N4O3S and molecular weight 354.06 g/mol. IUPAC: ethyl 4-cyano-5-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE
Property Insights of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE
The XLogP value of 2.9488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE. The TPSA of 97.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE. Following Lipinski's Rule of Five, ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE 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 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE?
The CAS number of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE is 1005633-91-9.
What is the molecular formula of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE?
The molecular formula of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE is C14H12F2N4O3S.
What is the molecular weight of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE?
The molecular weight of ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE is 354.06 g/mol.
Where can I buy ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE?
You can request a quote for ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-CYANO-5-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-5-YL]CARBONYL}AMINO)-3-METHYL-2-THIOPHENECARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.