![Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate structure](/static/products/6609/66093-10-5.webp)
Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate
TL;DR: Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate (CAS 66093-10-5) is a chemical compound with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(6-chloro-3-pyridinyl)amino]methylidene]propanedioate
Also Known As: diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate, Diethyl 6-chloro-3-pyridyllaminomethylene malonate, DIETHYL 2-(((6-CHLOROPYRIDIN-3-YL)AMINO)METHYLENE)MALONATE, diethyl 2-(((6-chloro-3-pyridinyl)amino)methylene)malonate, Diethyl 2-([(6-chloro-3-pyridinyl)amino]methylene)malonate #
| Molecular Formula | C13H15ClN2O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.07202 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 66093-10-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CN=C(C=C1)Cl)C(=O)OCC |
| InChIKey | PEDKSRPNRMMAPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate (CAS 66093-10-5), with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol. IUPAC: diethyl 2-[[(6-chloro-3-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate
Property Insights of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate
The XLogP value of 3.1 indicates that Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[[(6-chloro-3-pyridyl)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 Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate?
The CAS number of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate is 66093-10-5.
What is the molecular formula of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate?
The molecular formula of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate is C13H15ClN2O4.
What is the molecular weight of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate?
The molecular weight of Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate is 298.07 g/mol.
Where can I buy Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate?
You can request a quote for Diethyl 2-[[(6-chloro-3-pyridyl)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 Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[[(6-chloro-3-pyridyl)amino]methylene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.