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Diethyl 2-[(4-fluoroanilino)methylene]malonate
TL;DR: Diethyl 2-[(4-fluoroanilino)methylene]malonate (CAS 26832-96-2) is a chemical compound with molecular formula C14H16FNO4 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-fluoroanilino)methylidene]propanedioate
Also Known As: Diethyl 2-[(4-fluoroanilino)methylene]malonate, 3,4-Diacetoxycinnamamide, Diethyl 2-(((4-fluorophenyl)amino)methylene)malonate, diethyl 2-((4-fluorophenylamino)methylene)malonate, diethyl 2-[(4-fluoroanilino)methylidene]propanedioate
| Molecular Formula | C14H16FNO4 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.10632 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 26832-96-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)F)C(=O)OCC |
| InChIKey | UKOQPGUZNBTTLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-[(4-fluoroanilino)methylene]malonate (CAS 26832-96-2), with molecular formula C14H16FNO4 and molecular weight 281.11 g/mol. IUPAC: diethyl 2-[(4-fluoroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(4-fluoroanilino)methylene]malonate
Property Insights of Diethyl 2-[(4-fluoroanilino)methylene]malonate
The XLogP value of 3.3 indicates that Diethyl 2-[(4-fluoroanilino)methylene]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(4-fluoroanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(4-fluoroanilino)methylene]malonate has 1 hydrogen bond donor(s) and 6 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-fluoroanilino)methylene]malonate?
The CAS number of Diethyl 2-[(4-fluoroanilino)methylene]malonate is 26832-96-2.
What is the molecular formula of Diethyl 2-[(4-fluoroanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(4-fluoroanilino)methylene]malonate is C14H16FNO4.
What is the molecular weight of Diethyl 2-[(4-fluoroanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(4-fluoroanilino)methylene]malonate is 281.11 g/mol.
Where can I buy Diethyl 2-[(4-fluoroanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(4-fluoroanilino)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-fluoroanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-fluoroanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.