4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid
TL;DR: 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid (CAS 130613-17-1) is a chemical compound with molecular formula C12H7Cl2NO5 and molecular weight 314.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carboxymethoxy)-5,7-dichloroquinoline-2-carboxylic acid
Also Known As: CMODQ, 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid, 4-(carboxymethoxy)-5,7-dichloroquinoline-2-carboxylic acid, 2-Quinolinecarboxylicacid, 4-(carboxymethoxy)-5,7-dichloro-, 4-carboxymethyloxy-5,7-dichloro-2-quinolinecarboxylic acid
| Molecular Formula | C12H7Cl2NO5 |
|---|---|
| Molecular Weight | 314.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.97012 |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 130613-17-1 |
|---|---|
| SMILES | C1=C(C=C(C2=C1N=C(C=C2OCC(=O)O)C(=O)O)Cl)Cl |
| InChIKey | PTKZVIQCXVIUOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid (CAS 130613-17-1), with molecular formula C12H7Cl2NO5 and molecular weight 314.97 g/mol. IUPAC: 4-(carboxymethoxy)-5,7-dichloroquinoline-2-carboxylic acid.
Chemical Property Profile of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid
Property Insights of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid. Following Lipinski's Rule of Five, 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid has 2 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 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid?
The CAS number of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid is 130613-17-1.
What is the molecular formula of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid?
The molecular formula of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid is C12H7Cl2NO5.
What is the molecular weight of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid?
The molecular weight of 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid is 314.97 g/mol.
Where can I buy 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid?
You can request a quote for 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((Carboxymethyl)oxy)-5,7-dichloroquinoline-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.