![Diethyl 2-[(4-fluorophenyl)methylene]malonate structure](/static/products/7905/790-53-4.webp)
Diethyl 2-[(4-fluorophenyl)methylene]malonate
TL;DR: Diethyl 2-[(4-fluorophenyl)methylene]malonate (CAS 790-53-4) 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-[(4-fluorophenyl)methylidene]propanedioate
Also Known As: diethyl 2-[(4-fluorophenyl)methylene]malonate, diethyl 2-[(4-fluorophenyl)methylidene]propanedioate, diethyl 2-(4-fluorobenzylidene)malonate, 1,3-diethyl 2-[(4-fluorophenyl)methylidene]propanedioate, 4-Fluorobenzylidenemalonic acid diethyl ester
| Molecular Formula | C14H15FO4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 2.3353 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.09543 |
| Heavy Atoms | 19 |
| Complexity | 456.72427 |
Chemical Identifiers
| CAS Number | 790-53-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)F)C(=O)OCC |
Product Overview
Diethyl 2-[(4-fluorophenyl)methylene]malonate (CAS 790-53-4), with molecular formula C14H15FO4 and molecular weight 266.10 g/mol. IUPAC: diethyl 2-[(4-fluorophenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(4-fluorophenyl)methylene]malonate
Property Insights of Diethyl 2-[(4-fluorophenyl)methylene]malonate
The XLogP value of 2.3353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(4-fluorophenyl)methylene]malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-[(4-fluorophenyl)methylene]malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-[(4-fluorophenyl)methylene]malonate has 0 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 Diethyl 2-[(4-fluorophenyl)methylene]malonate?
The CAS number of Diethyl 2-[(4-fluorophenyl)methylene]malonate is 790-53-4.
What is the molecular formula of Diethyl 2-[(4-fluorophenyl)methylene]malonate?
The molecular formula of Diethyl 2-[(4-fluorophenyl)methylene]malonate is C14H15FO4.
What is the molecular weight of Diethyl 2-[(4-fluorophenyl)methylene]malonate?
The molecular weight of Diethyl 2-[(4-fluorophenyl)methylene]malonate is 266.10 g/mol.
Where can I buy Diethyl 2-[(4-fluorophenyl)methylene]malonate?
You can request a quote for Diethyl 2-[(4-fluorophenyl)methylene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(4-fluorophenyl)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-fluorophenyl)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.