Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate
TL;DR: Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate (CAS 40034-52-4) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[3-(2,6-dimethyl-4-pyridinyl)anilino]methylidene]propanedioate
Also Known As: EINECS 254-766-8, Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate, diethyl[[[3- phenyl]amino]methylene]malonate, DIETHYL [[[3-(2,6-DIMETHYL-4-PYRIDYL)PHENYL]AMINO]METHYLENE]MALONATE, diethyl 2-[[3-(2,6-dimethylpyridin-4-yl)anilino]methylidene]propanedioate
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 3.78744 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 818.76013 |
Chemical Identifiers
| CAS Number | 40034-52-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC(=NC(=C2)C)C)C(=O)OCC |
Product Overview
Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate (CAS 40034-52-4), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: diethyl 2-[[3-(2,6-dimethyl-4-pyridinyl)anilino]methylidene]propanedioate.
Chemical Property Profile of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate
Property Insights of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate
The XLogP value of 3.78744 indicates that Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate 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 Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate?
The CAS number of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate is 40034-52-4.
What is the molecular formula of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate?
The molecular formula of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate is C21H24N2O4.
What is the molecular weight of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate?
The molecular weight of Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate is 368.17 g/mol.
Where can I buy Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate?
You can request a quote for Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (((3-(2,6-dimethyl-4-pyridyl)phenyl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.