3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester
TL;DR: 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester (CAS 723294-72-2) is a chemical compound with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoate
Also Known As: 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester, methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoate, methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutyrate, methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-phenyl-butanoate
| Molecular Formula | C11H9F5O3 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 2.2448 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.04718 |
| Heavy Atoms | 19 |
| Complexity | 457.1485 |
Chemical Identifiers
| CAS Number | 723294-72-2 |
|---|---|
| SMILES | COC(=O)C(C1=CC=CC=C1)(C(C(F)(F)F)(F)F)O |
Product Overview
3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester (CAS 723294-72-2), with molecular formula C11H9F5O3 and molecular weight 284.05 g/mol. IUPAC: methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoate.
Chemical Property Profile of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester
Property Insights of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester
The XLogP value of 2.2448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester 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 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester?
The CAS number of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester is 723294-72-2.
What is the molecular formula of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester?
The molecular formula of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester is C11H9F5O3.
What is the molecular weight of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester?
The molecular weight of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester is 284.05 g/mol.
Where can I buy 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester?
You can request a quote for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-phenylbutyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.