Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate
TL;DR: Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate (CAS 53241-90-0) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate
Also Known As: Diethyl 2-{[(6-methoxypyridin-3-yl)amino]methylene}malonate, 2-[(6-methoxypyridin-3-ylamino)methylene]malonic acid diethyl ester, 5054AE, diethyl 2-[[(6-methoxypyridin-3-yl)amino]methylidene]propanedioate, 3-(N,N-dimethylamino)-2-phenylindene-1-thione
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 53241-90-0 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CN=C(C=C1)OC)C(=O)OCC |
| InChIKey | FJDMNLFVZHBIHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate (CAS 53241-90-0), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate
Property Insights of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate 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 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate?
The CAS number of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate is 53241-90-0.
What is the molecular formula of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate?
The molecular formula of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate is C14H18N2O5.
What is the molecular weight of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate?
The molecular weight of Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate is 294.12 g/mol.
Where can I buy Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate?
You can request a quote for Diethyl 2-(((6-methoxypyridin-3-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-(((6-methoxypyridin-3-yl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.