1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 23790-01-4) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-nitro-4-oxoquinoline-3-carboxylic acid
Also Known As: BIM-0040502.P001, 1-ethyl-6-nitro-4-oxoquinoline-3-carboxylic acid, 1-ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, A1875/0078890, 1-ethyl-6-nitro-4-oxohydroquinoline-3-carboxylic acid
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 23790-01-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | MPPOPOLESXYPNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 23790-01-4), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: 1-ethyl-6-nitro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of -0.1 indicates that 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 23790-01-4.
What is the molecular formula of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C12H10N2O5.
What is the molecular weight of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 262.06 g/mol.
Where can I buy 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.