![Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate structure](/static/products/3215/321553-50-8.webp)
Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
TL;DR: Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate (CAS 321553-50-8) is a chemical compound with molecular formula C14H11F3N2O3S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-formyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate
Also Known As: Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate, Methyl 2-((4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thio)benzoate, methyl 2-[4-formyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylbenzoate, 5-[(2-Methoxycarbonyl)phenylthio]-1-methyl-3-(trifluoromethyl)pyrazole4-carboxaldehyde, Methyl 2-([4-formyl-1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]sulfanyl)benzenecarboxylate
| Molecular Formula | C14H11F3N2O3S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 3.1892 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.04425 |
| Heavy Atoms | 23 |
| Complexity | 756.2111 |
Chemical Identifiers
| CAS Number | 321553-50-8 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=O)SC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate (CAS 321553-50-8), with molecular formula C14H11F3N2O3S and molecular weight 344.04 g/mol. IUPAC: methyl 2-[4-formyl-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylbenzoate.
Chemical Property Profile of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
Property Insights of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate
The XLogP value of 3.1892 indicates that Methyl 2-{[4-formyl-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 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-{[4-formyl-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-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
The CAS number of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is 321553-50-8.
What is the molecular formula of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
The molecular formula of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is C14H11F3N2O3S.
What is the molecular weight of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
The molecular weight of Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate is 344.04 g/mol.
Where can I buy Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
You can request a quote for Methyl 2-{[4-formyl-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-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-formyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]sulfanyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.