1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
TL;DR: 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid (CAS 883-18-1) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-oxocinnoline-3-carboxylic acid
Also Known As: 1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid, 1-methyl-4-oxocinnoline-3-carboxylic acid, 1,4-Dihydro-1-methylcinnolin-4-oxo-3-carboxylic acid, 1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylicacid, 1-Methyl-4-oxo-1,4-dihydro-3-cinnolinecarboxylic acid #
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 883-18-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)O |
| InChIKey | MRKGRJJAAGFLFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid (CAS 883-18-1), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 1-methyl-4-oxocinnoline-3-carboxylic acid.
Chemical Property Profile of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
Property Insights of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid 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 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid?
The CAS number of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid is 883-18-1.
What is the molecular formula of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid?
The molecular formula of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid is C10H8N2O3.
What is the molecular weight of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid?
The molecular weight of 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid is 204.05 g/mol.
Where can I buy 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid?
You can request a quote for 1-Methyl-4-oxo-1,4-dihydrocinnoline-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-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.