Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester
TL;DR: Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester (CAS 83714-50-5) is a chemical compound with molecular formula C6H7F3O5 and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-hydroxy-3-methoxycarbonylbutanoic acid
Also Known As: Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester, 4,4,4-trifluoro-3-hydroxy-3-methoxycarbonyl-butanoic Acid, 4,4,4-trifluoro-3-hydroxy-3-(methoxycarbonyl)butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methoxycarbonylbutanoic acid
| Molecular Formula | C6H7F3O5 |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | -0.0725 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.02455 |
| Heavy Atoms | 14 |
| Complexity | 248.34175 |
Chemical Identifiers
| CAS Number | 83714-50-5 |
|---|---|
| SMILES | COC(=O)C(CC(=O)O)(C(F)(F)F)O |
Product Overview
Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester (CAS 83714-50-5), with molecular formula C6H7F3O5 and molecular weight 216.02 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-3-methoxycarbonylbutanoic acid.
Chemical Property Profile of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester
Property Insights of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester
The XLogP value of -0.0725 indicates that Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester. Following Lipinski's Rule of Five, Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester has 2 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 Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester?
The CAS number of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester is 83714-50-5.
What is the molecular formula of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester?
The molecular formula of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester is C6H7F3O5.
What is the molecular weight of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester?
The molecular weight of Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester is 216.02 g/mol.
Where can I buy Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester?
You can request a quote for Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioicacid,2-hydroxy-2-(trifluoromethyl)-,1-methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.