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Diethyl {[methyl(phenyl)amino]methylidene}propanedioate
TL;DR: Diethyl {[methyl(phenyl)amino]methylidene}propanedioate (CAS 37041-15-9) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(N-methylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(N-methylanilino)methylidene]propanedioate, Diethyl {[methyl(phenyl)amino]methylidene}propanedioate, diethyl n-methyl-n-phenylaminomethylenemalonate, diethyl 2-[(methyl-phenyl-amino)methylidene]propanedioate
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 37041-15-9 |
|---|---|
| SMILES | CCOC(=O)C(=CN(C)C1=CC=CC=C1)C(=O)OCC |
| InChIKey | GIDDHVVEGZZYOD-UHFFFAOYSA-N |
Product Overview
Diethyl {[methyl(phenyl)amino]methylidene}propanedioate (CAS 37041-15-9), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: diethyl 2-[(N-methylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate
Property Insights of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl {[methyl(phenyl)amino]methylidene}propanedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl {[methyl(phenyl)amino]methylidene}propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl {[methyl(phenyl)amino]methylidene}propanedioate has 0 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 {[methyl(phenyl)amino]methylidene}propanedioate?
The CAS number of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate is 37041-15-9.
What is the molecular formula of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate?
The molecular formula of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate is C15H19NO4.
What is the molecular weight of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate?
The molecular weight of Diethyl {[methyl(phenyl)amino]methylidene}propanedioate is 277.13 g/mol.
Where can I buy Diethyl {[methyl(phenyl)amino]methylidene}propanedioate?
You can request a quote for Diethyl {[methyl(phenyl)amino]methylidene}propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl {[methyl(phenyl)amino]methylidene}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl {[methyl(phenyl)amino]methylidene}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.