1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid
TL;DR: 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid (CAS 130561-18-1) is a chemical compound with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid
Also Known As: 1-(4-chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid, 1-(4-chlorophenyl)-4-oxo-5-propoxy-cinnoline-3-carboxylic acid, 1-(4-chlorophenyl)-4-oxo-5-propoxy-1,4-dihydrocinnoline-3-carboxylic acid, 3-Cinnolinecarboxylicacid, 1-(4-chlorophenyl)-1,4-dihydro-4-oxo-5-propoxy-, 1-(4'-Chlorophenyl)-1,4-dihydro-4-oxo-5-propoxycinnoline-3-carboxylic acid
| Molecular Formula | C18H15ClN2O4 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.07202 |
| Heavy Atoms | 25 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 130561-18-1 |
|---|---|
| SMILES | CCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | VFYQJNIDOUTUCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid (CAS 130561-18-1), with molecular formula C18H15ClN2O4 and molecular weight 358.07 g/mol. IUPAC: 1-(4-chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid.
Chemical Property Profile of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid
Property Insights of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid
The XLogP value of 5.0 indicates that 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-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-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid?
The CAS number of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid is 130561-18-1.
What is the molecular formula of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid?
The molecular formula of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid is C18H15ClN2O4.
What is the molecular weight of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid?
The molecular weight of 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid is 358.07 g/mol.
Where can I buy 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid?
You can request a quote for 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-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-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.