![methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate structure](/static/products/3182/318239-35-9.webp)
methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
TL;DR: methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate (CAS 318239-35-9) is a chemical compound with molecular formula C14H10F3N3O2S and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-cyano-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate
Also Known As: methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate, methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzoate, methyl 2-[4-cyano-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate, methyl2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzoate
| Molecular Formula | C14H10F3N3O2S |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | 3.24838 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.0446 |
| Heavy Atoms | 23 |
| Complexity | 793.5408 |
Chemical Identifiers
| CAS Number | 318239-35-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=CC=C2C(=O)OC |
Product Overview
methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate (CAS 318239-35-9), with molecular formula C14H10F3N3O2S and molecular weight 341.04 g/mol. IUPAC: methyl 2-[4-cyano-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate.
Chemical Property Profile of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
Property Insights of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
The XLogP value of 3.24838 indicates that methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate. Following Lipinski's Rule of Five, methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate 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 methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
The CAS number of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is 318239-35-9.
What is the molecular formula of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
The molecular formula of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is C14H10F3N3O2S.
What is the molecular weight of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
The molecular weight of methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is 341.04 g/mol.
Where can I buy methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
You can request a quote for methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[4-cyano-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.