![2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid structure](/static/products/5005/500576-35-2.webp)
2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid
TL;DR: 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid (CAS 500576-35-2) is a chemical compound with molecular formula C21H13NO4 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid
Also Known As: NCIStruc1_001355, NCIStruc2_001755, NCI60_000764, 2-naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid, 2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid
| Molecular Formula | C21H13NO4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08447 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 500576-35-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O |
| InChIKey | DYQGDBZUUIQJCG-UHFFFAOYSA-N |
Product Overview
2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid (CAS 500576-35-2), with molecular formula C21H13NO4 and molecular weight 343.08 g/mol. IUPAC: 2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid.
Chemical Property Profile of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid
Property Insights of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid
The XLogP value of 4.4 indicates that 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid. Following Lipinski's Rule of Five, 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic 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 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid?
The CAS number of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid is 500576-35-2.
What is the molecular formula of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid?
The molecular formula of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid is C21H13NO4.
What is the molecular weight of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid?
The molecular weight of 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid is 343.08 g/mol.
Where can I buy 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid?
You can request a quote for 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.