Diethyl 2-(2-fluoroanilinomethylene)malonate
TL;DR: Diethyl 2-(2-fluoroanilinomethylene)malonate (CAS 63010-68-4) 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-[(2-fluoroanilino)methylidene]propanedioate
Also Known As: Maybridge1_000844, Diethyl 2-(((2-fluorophenyl)amino)methylene)malonate, diethyl 2-[(2-fluoroanilino)methylene]malonate, 1,3-diethyl 2-{[(2-fluorophenyl)amino]methylidene}propanedioate, 2-[(2-Fluoro-phenylamino)-methylene]-malonic acid diethyl ester
| Molecular Formula | C14H16FNO4 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.2477 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.10632 |
| Heavy Atoms | 20 |
| Complexity | 493.6503 |
Chemical Identifiers
| CAS Number | 63010-68-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1F)C(=O)OCC |
Product Overview
Diethyl 2-(2-fluoroanilinomethylene)malonate (CAS 63010-68-4), with molecular formula C14H16FNO4 and molecular weight 281.11 g/mol. IUPAC: diethyl 2-[(2-fluoroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(2-fluoroanilinomethylene)malonate
Property Insights of Diethyl 2-(2-fluoroanilinomethylene)malonate
The XLogP value of 2.2477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2-fluoroanilinomethylene)malonate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(2-fluoroanilinomethylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(2-fluoroanilinomethylene)malonate has 1 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 Diethyl 2-(2-fluoroanilinomethylene)malonate?
The CAS number of Diethyl 2-(2-fluoroanilinomethylene)malonate is 63010-68-4.
What is the molecular formula of Diethyl 2-(2-fluoroanilinomethylene)malonate?
The molecular formula of Diethyl 2-(2-fluoroanilinomethylene)malonate is C14H16FNO4.
What is the molecular weight of Diethyl 2-(2-fluoroanilinomethylene)malonate?
The molecular weight of Diethyl 2-(2-fluoroanilinomethylene)malonate is 281.11 g/mol.
Where can I buy Diethyl 2-(2-fluoroanilinomethylene)malonate?
You can request a quote for Diethyl 2-(2-fluoroanilinomethylene)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-(2-fluoroanilinomethylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-fluoroanilinomethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.