Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate
TL;DR: Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate (CAS 67938-67-4) is a chemical compound with molecular formula C14H17N3O7 and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(5-nitro-2-pyridinyl)propanedioate
Also Known As: diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate, Diethyl acetamido(5-nitropyridin-2-yl)propanedioate, diethyl 2-acetamido-2-(5-nitropyridin-2-yl)malonate, diethyl(acetylamino)(5-nitropyridin-2-yl)propanedioate, RefChem:337811
| Molecular Formula | C14H17N3O7 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.10666 |
| Heavy Atoms | 24 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 67938-67-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=NC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)NC(=O)C |
| InChIKey | LHWFQJFPKIQJOV-UHFFFAOYSA-N |
Product Overview
Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate (CAS 67938-67-4), with molecular formula C14H17N3O7 and molecular weight 339.11 g/mol. IUPAC: diethyl 2-acetamido-2-(5-nitro-2-pyridinyl)propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate
Property Insights of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate. The TPSA of 140.0 Ų indicates high polarity, suggesting Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate has 1 hydrogen bond donor(s) and 8 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-acetamido-2-(5-nitropyridin-2-yl)propanedioate?
The CAS number of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate is 67938-67-4.
What is the molecular formula of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate?
The molecular formula of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate is C14H17N3O7.
What is the molecular weight of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate?
The molecular weight of Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate is 339.11 g/mol.
Where can I buy Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate?
You can request a quote for Diethyl 2-acetamido-2-(5-nitropyridin-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 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(5-nitropyridin-2-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.