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Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
TL;DR: Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate (CAS 1024448-98-3) is a chemical compound with molecular formula C13H9F3O2S and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Also Known As: Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate, Methyl 5-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylate, I14-11451, Methyl5-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 5-[3-(trifluoromethyl)phenyl]-, methyl ester
| Molecular Formula | C13H9F3O2S |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 4.2205 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.02753 |
| Heavy Atoms | 19 |
| Complexity | 601.93097 |
Chemical Identifiers
| CAS Number | 1024448-98-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(S1)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate (CAS 1024448-98-3), with molecular formula C13H9F3O2S and molecular weight 286.03 g/mol. IUPAC: methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
Property Insights of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
The XLogP value of 4.2205 indicates that Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The CAS number of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is 1024448-98-3.
What is the molecular formula of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The molecular formula of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is C13H9F3O2S.
What is the molecular weight of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
The molecular weight of Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate is 286.03 g/mol.
Where can I buy Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
You can request a quote for Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.