1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid
TL;DR: 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid (CAS 879433-16-6) is a chemical compound with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6-nitro-2,4-dihydroquinoline-3,3-dicarboxylic acid
Also Known As: 1-methyl-6-nitro-2,4-dihydroquinoline-3,3-dicarboxylic Acid, 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid, 1-methyl-6-nitro-1,2-dihydroquinoline-3,3(4H)-dicarboxylic acid
| Molecular Formula | C12H12N2O6 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 0.7427 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.06955 |
| Heavy Atoms | 20 |
| Complexity | 597.96515 |
Chemical Identifiers
| CAS Number | 879433-16-6 |
|---|---|
| SMILES | CN1CC(CC2=C1C=CC(=C2)[N+](=O)[O-])(C(=O)O)C(=O)O |
Product Overview
1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid (CAS 879433-16-6), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: 1-methyl-6-nitro-2,4-dihydroquinoline-3,3-dicarboxylic acid.
Chemical Property Profile of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid
Property Insights of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid
The XLogP value of 0.7427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid. Following Lipinski's Rule of Five, 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid has 2 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 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid?
The CAS number of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid is 879433-16-6.
What is the molecular formula of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid?
The molecular formula of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid is C12H12N2O6.
What is the molecular weight of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid?
The molecular weight of 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid is 280.07 g/mol.
Where can I buy 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid?
You can request a quote for 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-6-nitro-1,4-dihydroquinoline-3,3(2H)-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.