Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
TL;DR: Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 237385-98-7) 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 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Also Known As: methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, 8026AD, K-6450, 4-Phenyl-5-trifluoromethyl-thiophene-2-carboxylic acid methyl ester, Methyl 4-phenyl-5-(trifluoromethyl)-thiophene-2-carboxylate
| 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 | 587.68097 |
Chemical Identifiers
| CAS Number | 237385-98-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=CC=C2 |
Product Overview
Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 237385-98-7), with molecular formula C13H9F3O2S and molecular weight 286.03 g/mol. IUPAC: methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
Property Insights of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
The XLogP value of 4.2205 indicates that Methyl 4-phenyl-5-(trifluoromethyl)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 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-phenyl-5-(trifluoromethyl)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 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The CAS number of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is 237385-98-7.
What is the molecular formula of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular formula of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is C13H9F3O2S.
What is the molecular weight of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular weight of Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is 286.03 g/mol.
Where can I buy Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
You can request a quote for Methyl 4-phenyl-5-(trifluoromethyl)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 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.