![ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate structure](/static/products/3240/324009-04-3.webp)
ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate
TL;DR: ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate (CAS 324009-04-3) is a chemical compound with molecular formula C11H12F3N3O2S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-cyano-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylpropanoate
Also Known As: ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate, Ethyl 2-[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylpropanoate, ethyl 2-{[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanyl}propanoate, Ethyl 2-{4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-ylsulfanyl}propanoate, ethyl2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate
| Molecular Formula | C11H12F3N3O2S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.35428 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06024 |
| Heavy Atoms | 20 |
| Complexity | 548.33386 |
Chemical Identifiers
| CAS Number | 324009-04-3 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=C(C(=NN1C)C(F)(F)F)C#N |
Product Overview
ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate (CAS 324009-04-3), with molecular formula C11H12F3N3O2S and molecular weight 307.06 g/mol. IUPAC: ethyl 2-[4-cyano-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylpropanoate.
Chemical Property Profile of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate
Property Insights of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate
The XLogP value of 2.35428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate. Following Lipinski's Rule of Five, ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate has 0 hydrogen bond donor(s) and 5 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-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate?
The CAS number of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate is 324009-04-3.
What is the molecular formula of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate?
The molecular formula of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate is C11H12F3N3O2S.
What is the molecular weight of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate?
The molecular weight of ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate is 307.06 g/mol.
Where can I buy ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate?
You can request a quote for ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.