Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate
TL;DR: Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate (CAS 162220-83-9) is a chemical compound with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(6-ethoxy-3-pyridinyl)amino]methylidene]propanedioate
Also Known As: Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate, Diethyl(2-ethoxy-5-pyridylaminomethylene)malonate, diethyl (2-ethoxy-5-pyridylaminomethylene)malonate, diethyl 2-(6-ethoxy-3-pyridylaminomethylene)malonate, Diethyl {[(6-ethoxypyridin-3-yl)amino]methylidene}propanedioate
| Molecular Formula | C15H20N2O5 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 308.1372 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 162220-83-9 |
|---|---|
| SMILES | CCOC1=NC=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC |
| InChIKey | OGGXZYQLCGRLJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate (CAS 162220-83-9), with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol. IUPAC: diethyl 2-[[(6-ethoxy-3-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate
Property Insights of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate. Following Lipinski's Rule of Five, Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate has 1 hydrogen bond donor(s) and 7 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 6-ethoxy-3-pyridylaminomethylenemalonate?
The CAS number of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate is 162220-83-9.
What is the molecular formula of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate?
The molecular formula of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate is C15H20N2O5.
What is the molecular weight of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate?
The molecular weight of Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate is 308.14 g/mol.
Where can I buy Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate?
You can request a quote for Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 6-ethoxy-3-pyridylaminomethylenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.