Diethyl 2-(5-nitropyridin-2-yl)malonate
TL;DR: Diethyl 2-(5-nitropyridin-2-yl)malonate (CAS 60891-70-5) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(5-nitro-2-pyridinyl)propanedioate
Also Known As: Diethyl 2-(5-nitropyridin-2-yl)malonate, DIETHYL MALONATE, Etoricoxib Impurity 41, DIETHYL (5-NITROPYRIDIN-2-YL)MALONATE, diethyl 2-(5-nitropyridin-2-yl)propanedioate
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 1.1996 |
| Topological Polar Surface Area | 108.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 481.17395 |
Chemical Identifiers
| CAS Number | 60891-70-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC |
Product Overview
Diethyl 2-(5-nitropyridin-2-yl)malonate (CAS 60891-70-5), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: diethyl 2-(5-nitro-2-pyridinyl)propanedioate.
Chemical Property Profile of Diethyl 2-(5-nitropyridin-2-yl)malonate
Property Insights of Diethyl 2-(5-nitropyridin-2-yl)malonate
The XLogP value of 1.1996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(5-nitropyridin-2-yl)malonate. The TPSA of 108.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(5-nitropyridin-2-yl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(5-nitropyridin-2-yl)malonate has 0 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-(5-nitropyridin-2-yl)malonate?
The CAS number of Diethyl 2-(5-nitropyridin-2-yl)malonate is 60891-70-5.
What is the molecular formula of Diethyl 2-(5-nitropyridin-2-yl)malonate?
The molecular formula of Diethyl 2-(5-nitropyridin-2-yl)malonate is C12H14N2O6.
What is the molecular weight of Diethyl 2-(5-nitropyridin-2-yl)malonate?
The molecular weight of Diethyl 2-(5-nitropyridin-2-yl)malonate is 282.09 g/mol.
Where can I buy Diethyl 2-(5-nitropyridin-2-yl)malonate?
You can request a quote for Diethyl 2-(5-nitropyridin-2-yl)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-nitropyridin-2-yl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(5-nitropyridin-2-yl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.