Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate
TL;DR: Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate (CAS 16867-57-5) 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-[[(5-chloro-2-pyridinyl)amino]methylidene]propanedioate
Also Known As: Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate, 8613AA, Diethyl 2-{[(5-chloro-2-pyridinyl)amino]-methylene}malonate, diethylchloropyridinylaminomethylenemalonate, BAS 00440569
| Molecular Formula | C13H15ClN2O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 2.157 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.07202 |
| Heavy Atoms | 20 |
| Complexity | 479.59753 |
Chemical Identifiers
| CAS Number | 16867-57-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NC=C(C=C1)Cl)C(=O)OCC |
Product Overview
Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate (CAS 16867-57-5), with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol. IUPAC: diethyl 2-[[(5-chloro-2-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate
Property Insights of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate
The XLogP value of 2.157 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(((5-chloropyridin-2-yl)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 2-(((5-chloropyridin-2-yl)amino)methylene)malonate?
The CAS number of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate is 16867-57-5.
What is the molecular formula of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate?
The molecular formula of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate is C13H15ClN2O4.
What is the molecular weight of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate?
The molecular weight of Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate is 298.07 g/mol.
Where can I buy Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate?
You can request a quote for Diethyl 2-(((5-chloropyridin-2-yl)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 2-(((5-chloropyridin-2-yl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.