![1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate structure](/static/products/2683/26832-90-6.webp)
1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate
TL;DR: 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate (CAS 26832-90-6) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-cyanoanilino)methylidene]propanedioate
Also Known As: Diethyl methylenemalonate, 4-Dimethylamino-benzamidine, DIETHYL (4-CYANOPHENYLAMINO)METHYLENEMALONATE, Diethyl 2-(4-cyanophenylamino)methylenemalonate, Diethyl [(4-cyanoanilino)methylidene]propanedioate
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 1.98028 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 550.33154 |
Chemical Identifiers
| CAS Number | 26832-90-6 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)C#N)C(=O)OCC |
Product Overview
1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate (CAS 26832-90-6), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: diethyl 2-[(4-cyanoanilino)methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate
Property Insights of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate
The XLogP value of 1.98028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate has 1 hydrogen bond donor(s) and 6 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-[[(4-cyanophenyl)amino]methylene]propanedioate?
The CAS number of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate is 26832-90-6.
What is the molecular formula of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate?
The molecular formula of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate is C15H16N2O4.
What is the molecular weight of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate?
The molecular weight of 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate is 288.11 g/mol.
Where can I buy 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate?
You can request a quote for 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]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-[[(4-cyanophenyl)amino]methylene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[[(4-cyanophenyl)amino]methylene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.