3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester
TL;DR: 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester (CAS 723294-73-3) is a chemical compound with molecular formula C6H7F5O3 and molecular weight 222.03 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-methylbutanoate
Also Known As: 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester, methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-methylbutanoate, methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-methylbutyrate, methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-methyl-butanoate, 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyricacid methyl ester
| Molecular Formula | C6H7F5O3 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.108 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03154 |
| Heavy Atoms | 14 |
| Complexity | 232.1117 |
Chemical Identifiers
| CAS Number | 723294-73-3 |
|---|---|
| SMILES | CC(C(=O)OC)(C(C(F)(F)F)(F)F)O |
Product Overview
3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester (CAS 723294-73-3), with molecular formula C6H7F5O3 and molecular weight 222.03 g/mol. IUPAC: methyl 3,3,4,4,4-pentafluoro-2-hydroxy-2-methylbutanoate.
Chemical Property Profile of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester
Property Insights of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester
The XLogP value of 1.108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric 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-methylbutyric 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-methylbutyric acid methyl ester?
The CAS number of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester is 723294-73-3.
What is the molecular formula of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester?
The molecular formula of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester is C6H7F5O3.
What is the molecular weight of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester?
The molecular weight of 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester is 222.03 g/mol.
Where can I buy 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester?
You can request a quote for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric 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-methylbutyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.