Diethylmalonate,2-F benzal
TL;DR: Diethylmalonate,2-F benzal (CAS 2262-52-4) is a chemical compound with molecular formula C14H15FO4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-fluorophenyl)methylidene]propanedioate
Also Known As: Diethyl 2-(2-fluorobenzylidene)malonate, DIETHYLMALONATE,2-F BENZAL, J1.605.761D, (2-Fluorobenzylidene)malonic acid diethyl ester, 2-(2-Fluorobenzylidene)malonic acid diethyl ester
| Molecular Formula | C14H15FO4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.09543 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 2262-52-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1F)C(=O)OCC |
| InChIKey | VGOZHARPEROUQM-UHFFFAOYSA-N |
Product Overview
Diethylmalonate,2-F benzal (CAS 2262-52-4), with molecular formula C14H15FO4 and molecular weight 266.10 g/mol. IUPAC: diethyl 2-[(2-fluorophenyl)methylidene]propanedioate.
Chemical Property Profile of Diethylmalonate,2-F benzal
Property Insights of Diethylmalonate,2-F benzal
The XLogP value of 3.0 indicates that Diethylmalonate,2-F benzal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethylmalonate,2-F benzal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylmalonate,2-F benzal 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 Diethylmalonate,2-F benzal?
The CAS number of Diethylmalonate,2-F benzal is 2262-52-4.
What is the molecular formula of Diethylmalonate,2-F benzal?
The molecular formula of Diethylmalonate,2-F benzal is C14H15FO4.
What is the molecular weight of Diethylmalonate,2-F benzal?
The molecular weight of Diethylmalonate,2-F benzal is 266.10 g/mol.
Where can I buy Diethylmalonate,2-F benzal?
You can request a quote for Diethylmalonate,2-F benzal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylmalonate,2-F benzal?
Yes, KEHONG BIO provides custom synthesis services for Diethylmalonate,2-F benzal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.