2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid
TL;DR: 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid (CAS 69045-79-0) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid
Also Known As: 2-(1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid, 2-Chloro-5-iodopyridine, 2-(Benzo[d][1,3]dioxol-5-yl)-6-methylquinoline-4-carboxylic acid, 2-(2H-1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid, 2-(1,3-BENZODIOXOL-5-YL)-6-METHYL-4-QUINOLINECARBOXYLIC ACID
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.63712 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 949.1496 |
Chemical Identifiers
| CAS Number | 69045-79-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4 |
Product Overview
2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid (CAS 69045-79-0), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid
Property Insights of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid
The XLogP value of 3.63712 indicates that 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid is 69045-79-0.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid is C18H13NO4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid is 307.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-6-methylquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.