![Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate structure](/static/products/1039/103976-15-4.webp)
Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate
TL;DR: Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate (CAS 103976-15-4) is a chemical compound with molecular formula C15H18ClNO4 and molecular weight 311.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-[(2-chloro-4-methylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate, 6J-030, 1,3-diethyl 2-{[(2-chloro-4-methylphenyl)amino]methylidene}propanedioate, diethyl 2-[(2-chloro-4-methylanilino)methylidene]propanedioate, diethyl 2-[(2-chloro-4-methyl-anilino)methylene]propanedioate
Technical Specifications
| Molecular Formula | C15H18ClNO4 |
| Molecular Weight | 311.09244 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.09244 Da |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| SMILES | CCOC(=O)C(=CNC1=C(C=C(C=C1)C)Cl)C(=O)OCC |
| InChIKey | CZXLJWFCLVRUTD-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate
Property Insights of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate
The XLogP value of 4.2 indicates that Diethyl 2-[(2-chloro-4-methylanilino)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-[(2-chloro-4-methylanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(2-chloro-4-methylanilino)methylene]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
What is the CAS number of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate?
The CAS number of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate is 103976-15-4.
What is the molecular formula of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate is C15H18ClNO4.
What is the molecular weight of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate is 311.09244 g/mol.
Where can I buy Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-[(2-chloro-4-methylanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.