Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate
TL;DR: Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate (CAS 1373835-07-4) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-nitro-4-oxo-1H-quinoline-2-carboxylate
Also Known As: Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate, METHYL 4-HYDROXY-6-NITROQUINOLINE-2-CARBOXYLATE, methyl 6-nitro-4-oxo-1H-quinoline-2-carboxylate, 4-Hydroxy-6-nitro-quinoline-2-carboxylic acid methyl ester, 1,4-Dihydro-6-nitro-4-oxo-2-quinolinecarboxylic acid methyl ester
| Molecular Formula | C11H8N2O5 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 1.2229 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.04332 |
| Heavy Atoms | 18 |
| Complexity | 704.13605 |
Chemical Identifiers
| CAS Number | 1373835-07-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate (CAS 1373835-07-4), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: methyl 6-nitro-4-oxo-1H-quinoline-2-carboxylate.
Chemical Property Profile of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate
Property Insights of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate
The XLogP value of 1.2229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate. Following Lipinski's Rule of Five, Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate has 1 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 Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
The CAS number of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate is 1373835-07-4.
What is the molecular formula of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
The molecular formula of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate is C11H8N2O5.
What is the molecular weight of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
The molecular weight of Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate is 248.04 g/mol.
Where can I buy Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
You can request a quote for Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-nitro-4-oxo-1,4-dihydroquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.