3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde
TL;DR: 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde (CAS 131124-59-9) is a chemical compound with molecular formula C18H11NO4 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-formylquinoline-3-carbonyl)benzoic acid
Also Known As: CBQCA, CBQCA reagent, 3-(4-Carboxybenzoyl)-2-quinolinecarboxaldehyde, 4-(2-formylquinoline-3-carbonyl)benzoic acid, 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde
| Molecular Formula | C18H11NO4 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.06882 |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 131124-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=N2)C=O)C(=O)C3=CC=C(C=C3)C(=O)O |
| InChIKey | MWNLTKCQHFZFHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde (CAS 131124-59-9), with molecular formula C18H11NO4 and molecular weight 305.07 g/mol. IUPAC: 4-(2-formylquinoline-3-carbonyl)benzoic acid.
Chemical Property Profile of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde
Property Insights of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde. Following Lipinski's Rule of Five, 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde 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 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde?
The CAS number of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde is 131124-59-9.
What is the molecular formula of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde?
The molecular formula of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde is C18H11NO4.
What is the molecular weight of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde?
The molecular weight of 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde is 305.07 g/mol.
Where can I buy 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde?
You can request a quote for 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Carboxybenzoyl)quinoline-2-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.