Diethyl (pyridin-2-yl)propanedioate
TL;DR: Diethyl (pyridin-2-yl)propanedioate (CAS 39541-69-0) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pyridin-2-ylpropanedioate
Also Known As: diethyl 2-(pyridin-2-yl)malonate, diethyl 2-pyridin-2-ylpropanedioate, Diethyl 2-(2-pyridyl)malonate, Diethyl (pyridin-2-yl)propanedioate, diethyl 2-(3'-pyridyl)malonate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 39541-69-0 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=N1)C(=O)OCC |
| InChIKey | YIXXSVCHEKAGMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (pyridin-2-yl)propanedioate (CAS 39541-69-0), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: diethyl 2-pyridin-2-ylpropanedioate.
Chemical Property Profile of Diethyl (pyridin-2-yl)propanedioate
Property Insights of Diethyl (pyridin-2-yl)propanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (pyridin-2-yl)propanedioate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (pyridin-2-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl (pyridin-2-yl)propanedioate 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 (pyridin-2-yl)propanedioate?
The CAS number of Diethyl (pyridin-2-yl)propanedioate is 39541-69-0.
What is the molecular formula of Diethyl (pyridin-2-yl)propanedioate?
The molecular formula of Diethyl (pyridin-2-yl)propanedioate is C12H15NO4.
What is the molecular weight of Diethyl (pyridin-2-yl)propanedioate?
The molecular weight of Diethyl (pyridin-2-yl)propanedioate is 237.10 g/mol.
Where can I buy Diethyl (pyridin-2-yl)propanedioate?
You can request a quote for Diethyl (pyridin-2-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (pyridin-2-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (pyridin-2-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.