Diethyl 2-((3,4-difluoroanilino)methylene)malonate
TL;DR: Diethyl 2-((3,4-difluoroanilino)methylene)malonate (CAS 142354-87-8) is a chemical compound with molecular formula C14H15F2NO4 and molecular weight 299.09692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[(3,4-difluoroanilino)methylidene]propanedioate
Also Known As: NCI60_030505, Diethyl 2-((3,4-difluoroanilino)methylene)malonate, diethyl{[(3,4-difluorophenyl)amino]methylene}malonate, 3-(3,4-difluoroanilino)-2-ethoxycarbonylprop-2-enoate, diethyl 2-[(3,4-difluoroanilino)methylene]propanedioate
Technical Specifications
| Molecular Formula | C14H15F2NO4 |
| Molecular Weight | 299.09692 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.09692 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | CCOC(=O)C(=CNC1=CC(=C(C=C1)F)F)C(=O)OCC |
| InChIKey | DJHBWAZSUKREIR-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-((3,4-difluoroanilino)methylene)malonate
Property Insights of Diethyl 2-((3,4-difluoroanilino)methylene)malonate
The XLogP value of 3.4 indicates that Diethyl 2-((3,4-difluoroanilino)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-((3,4-difluoroanilino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-((3,4-difluoroanilino)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-((3,4-difluoroanilino)methylene)malonate?
The CAS number of Diethyl 2-((3,4-difluoroanilino)methylene)malonate is 142354-87-8.
What is the molecular formula of Diethyl 2-((3,4-difluoroanilino)methylene)malonate?
The molecular formula of Diethyl 2-((3,4-difluoroanilino)methylene)malonate is C14H15F2NO4.
What is the molecular weight of Diethyl 2-((3,4-difluoroanilino)methylene)malonate?
The molecular weight of Diethyl 2-((3,4-difluoroanilino)methylene)malonate is 299.09692 g/mol.
Where can I buy Diethyl 2-((3,4-difluoroanilino)methylene)malonate?
You can request a quote for Diethyl 2-((3,4-difluoroanilino)methylene)malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-((3,4-difluoroanilino)methylene)malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-((3,4-difluoroanilino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.