Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester
TL;DR: Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester (CAS 23197-71-9) is a chemical compound with molecular formula C17H23FO4 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-fluoro-2-[4-(2-methylpropyl)phenyl]propanedioate
Also Known As: Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester, Diethyl fluoro[4-(2-methylpropyl)phenyl]propanedioate, diethyl 2-fluoro-2-[4-(2-methylpropyl)phenyl]propanedioate, Malonic acid, 2-fluoro-2-(p-isobutylphenyl)-, diethyl ester, RefChem:351845
| Molecular Formula | C17H23FO4 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 310.15805 |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 23197-71-9 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)CC(C)C)(C(=O)OCC)F |
| InChIKey | CVEADRMKLCECBY-UHFFFAOYSA-N |
Product Overview
Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester (CAS 23197-71-9), with molecular formula C17H23FO4 and molecular weight 310.16 g/mol. IUPAC: diethyl 2-fluoro-2-[4-(2-methylpropyl)phenyl]propanedioate.
Chemical Property Profile of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester
Property Insights of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester
The XLogP value of 4.4 indicates that Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester has 0 hydrogen bond donor(s) and 5 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 Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester?
The CAS number of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester is 23197-71-9.
What is the molecular formula of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester?
The molecular formula of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester is C17H23FO4.
What is the molecular weight of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester?
The molecular weight of Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester is 310.16 g/mol.
Where can I buy Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester?
You can request a quote for Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, fluoro-p-isobutylphenyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.