Diethyl 2-(pyridin-4-ylmethylene)malonate
TL;DR: Diethyl 2-(pyridin-4-ylmethylene)malonate (CAS 52601-17-9) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(pyridin-4-ylmethylidene)propanedioate
Also Known As: diethyl 2-(pyridin-4-ylmethylene)malonate, diethyl (4-pyridylmethylene)malonate, diethyl (pyridin-4-ylmethylidene)propanedioate, J3.053.197C, (4-Pyridinylmethylene)malonic acid diethyl ester
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.5912 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 419.56427 |
Chemical Identifiers
| CAS Number | 52601-17-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=NC=C1)C(=O)OCC |
Product Overview
Diethyl 2-(pyridin-4-ylmethylene)malonate (CAS 52601-17-9), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: diethyl 2-(pyridin-4-ylmethylidene)propanedioate.
Chemical Property Profile of Diethyl 2-(pyridin-4-ylmethylene)malonate
Property Insights of Diethyl 2-(pyridin-4-ylmethylene)malonate
The XLogP value of 1.5912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(pyridin-4-ylmethylene)malonate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(pyridin-4-ylmethylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(pyridin-4-ylmethylene)malonate has 0 hydrogen bond donor(s) and 5 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-(pyridin-4-ylmethylene)malonate?
The CAS number of Diethyl 2-(pyridin-4-ylmethylene)malonate is 52601-17-9.
What is the molecular formula of Diethyl 2-(pyridin-4-ylmethylene)malonate?
The molecular formula of Diethyl 2-(pyridin-4-ylmethylene)malonate is C13H15NO4.
What is the molecular weight of Diethyl 2-(pyridin-4-ylmethylene)malonate?
The molecular weight of Diethyl 2-(pyridin-4-ylmethylene)malonate is 249.10 g/mol.
Where can I buy Diethyl 2-(pyridin-4-ylmethylene)malonate?
You can request a quote for Diethyl 2-(pyridin-4-ylmethylene)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-(pyridin-4-ylmethylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(pyridin-4-ylmethylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.