Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 695191-65-2) is a chemical compound with molecular formula C12H13F3O3 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate, ZERO/005021, methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxy-propanoate,
2-(2,5-Dimethyl-phenyl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl est er, 2-(2,5-DIMETHYL-PHENYL)-3,3,3-TRIFLUORO-2-HYDROXY-PROPIONIC ACID METHYL ESTER
| Molecular Formula | C12H13F3O3 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.22634 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08167 |
| Heavy Atoms | 18 |
| Complexity | 468.1257 |
Chemical Identifiers
| CAS Number | 695191-65-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C(C(=O)OC)(C(F)(F)F)O |
Product Overview
Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 695191-65-2), with molecular formula C12H13F3O3 and molecular weight 262.08 g/mol. IUPAC: methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 2.22634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate has 1 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 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 695191-65-2.
What is the molecular formula of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is C12H13F3O3.
What is the molecular weight of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate is 262.08 g/mol.
Where can I buy Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.