Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate
TL;DR: Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate (CAS 134811-49-7) is a chemical compound with molecular formula C15H15FN2O4 and molecular weight 306.1016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[(3-cyano-4-fluoroanilino)methylidene]propanedioate
Also Known As: diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate, diethyl 2-[(3-cyano-4-fluoroanilino)methylidene]propanedioate, 1,3-diethyl 2-{[(3-cyano-4-fluorophenyl)amino]methylidene}propanedioate, Diethyl 2-(((3-cyano-4-fluorophenyl)amino)methylene)malonate, diethyl 2-[(3-cyano-4-fluoro-anilino)methylene]propanedioate
Technical Specifications
| Molecular Formula | C15H15FN2O4 |
| Molecular Weight | 306.1016 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.1016 Da |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
| SMILES | CCOC(=O)C(=CNC1=CC(=C(C=C1)F)C#N)C(=O)OCC |
| InChIKey | XWLVSXGLHNCVAZ-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate
Property Insights of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate
The XLogP value of 3.1 indicates that Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate?
The CAS number of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate is 134811-49-7.
What is the molecular formula of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate?
The molecular formula of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate is C15H15FN2O4.
What is the molecular weight of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate?
The molecular weight of Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate is 306.1016 g/mol.
Where can I buy Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate?
You can request a quote for Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-((3-cyano-4-fluorophenylamino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.