Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
TL;DR: Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 157162-16-8) is a chemical compound with molecular formula C7H5F3O3S and molecular weight 225.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
Also Known As: Methyl 3-Hydroxy-5-trifluoromethylthiophene-2-carboxylate, methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate, 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester, 2-thiophenecarboxylic acid, 3-hydroxy-5-(trifluoromethyl)-, methyl ester, 4-hydroxy-5-methoxycarbonyl-2-trifluoromethylthiophene
| Molecular Formula | C7H5F3O3S |
|---|---|
| Molecular Weight | 225.99 g/mol |
| LogP | 2.2591 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.99115 |
| Heavy Atoms | 14 |
| Complexity | 355.55225 |
Chemical Identifiers
| CAS Number | 157162-16-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(S1)C(F)(F)F)O |
Product Overview
Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate (CAS 157162-16-8), with molecular formula C7H5F3O3S and molecular weight 225.99 g/mol. IUPAC: methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
Property Insights of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
The XLogP value of 2.2591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate?
The CAS number of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate is 157162-16-8.
What is the molecular formula of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular formula of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate is C7H5F3O3S.
What is the molecular weight of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate?
The molecular weight of Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate is 225.99 g/mol.
Where can I buy Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate?
You can request a quote for Methyl 3-hydroxy-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 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.