Methyl 4-(2,2,2-trifluoroethoxy)benzoate
TL;DR: Methyl 4-(2,2,2-trifluoroethoxy)benzoate (CAS 35554-38-2) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,2,2-trifluoroethoxy)benzoate
Also Known As: methyl 4-(2,2,2-trifluoroethoxy)benzoate, methyl 4-(2,2,2-trifluoroethoxy)-benzoate, methyl 4-(2,2,2-trifluoroethoxy)benzenecarboxylate, methyl4-(2,2,2-trifluoroethoxy)benzoate, 4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one
| Molecular Formula | C10H9F3O3 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.4143 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05038 |
| Heavy Atoms | 16 |
| Complexity | 356.56717 |
Chemical Identifiers
| CAS Number | 35554-38-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(F)(F)F |
Product Overview
Methyl 4-(2,2,2-trifluoroethoxy)benzoate (CAS 35554-38-2), with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol. IUPAC: methyl 4-(2,2,2-trifluoroethoxy)benzoate.
Chemical Property Profile of Methyl 4-(2,2,2-trifluoroethoxy)benzoate
Property Insights of Methyl 4-(2,2,2-trifluoroethoxy)benzoate
The XLogP value of 2.4143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2,2,2-trifluoroethoxy)benzoate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 4-(2,2,2-trifluoroethoxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(2,2,2-trifluoroethoxy)benzoate 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-(2,2,2-trifluoroethoxy)benzoate?
The CAS number of Methyl 4-(2,2,2-trifluoroethoxy)benzoate is 35554-38-2.
What is the molecular formula of Methyl 4-(2,2,2-trifluoroethoxy)benzoate?
The molecular formula of Methyl 4-(2,2,2-trifluoroethoxy)benzoate is C10H9F3O3.
What is the molecular weight of Methyl 4-(2,2,2-trifluoroethoxy)benzoate?
The molecular weight of Methyl 4-(2,2,2-trifluoroethoxy)benzoate is 234.05 g/mol.
Where can I buy Methyl 4-(2,2,2-trifluoroethoxy)benzoate?
You can request a quote for Methyl 4-(2,2,2-trifluoroethoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,2,2-trifluoroethoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,2,2-trifluoroethoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.