![1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate structure](/static/products/1040/104007-06-9.webp)
1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate
TL;DR: 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate (CAS 104007-06-9) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2,4-dimethylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(2,4-dimethylanilino)methylene]malonate, 1,3-diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate, DIETHYL (2,4-XYLIDINOMETHYLENE)MALONATE, Diethyl 2-(((2,4-dimethylphenyl)amino)methylene)malonate, diethyl 2-[(2,4-dimethylanilino)methylidene]propanedioate
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.72544 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 529.208 |
Chemical Identifiers
| CAS Number | 104007-06-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(C=C(C=C1)C)C)C(=O)OCC |
Product Overview
1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate (CAS 104007-06-9), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: diethyl 2-[(2,4-dimethylanilino)methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate
Property Insights of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate
The XLogP value of 2.72544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate 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 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate?
The CAS number of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate is 104007-06-9.
What is the molecular formula of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate?
The molecular formula of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate is C16H21NO4.
What is the molecular weight of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate?
The molecular weight of 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate is 291.15 g/mol.
Where can I buy 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate?
You can request a quote for 1,3-Diethyl 2-{[(2,4-dimethylphenyl)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 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.