Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate
TL;DR: Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate (CAS 193673-40-4) is a chemical compound with molecular formula C17H18N2O7 and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate
Also Known As: diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate, Diethyl (1-methyl-3-nitro-2-oxo-1,2-dihydroquinolin-4-yl)propanedioate, (1-Methyl-2-oxo-3-nitro-1,2-dihydroquinoline-4-yl)malonic acid diethyl ester, 1,3-diethyl 2-(1-methyl-3-nitro-2-oxo-1,2-dihydroquinolin-4-yl)propanedioate, 2-[(1-Methyl-2-oxo-3-nitro-1,2-dihydroquinolin)-4-yl]malonic acid diethyl ester
| Molecular Formula | C17H18N2O7 |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 1.6565 |
| Topological Polar Surface Area | 117.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.1114 |
| Heavy Atoms | 26 |
| Complexity | 914.5887 |
Chemical Identifiers
| CAS Number | 193673-40-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-])C(=O)OCC |
Product Overview
Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate (CAS 193673-40-4), with molecular formula C17H18N2O7 and molecular weight 362.11 g/mol. IUPAC: diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate
Property Insights of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate
The XLogP value of 1.6565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate. The TPSA of 117.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate 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-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate?
The CAS number of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate is 193673-40-4.
What is the molecular formula of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate?
The molecular formula of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate is C17H18N2O7.
What is the molecular weight of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate?
The molecular weight of Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate is 362.11 g/mol.
Where can I buy Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate?
You can request a quote for Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-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-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.