4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
TL;DR: 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CAS 647036-22-4) is a chemical compound with molecular formula C22H17NO4 and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
Also Known As: 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid, 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid, 4-(1,3-Dioxaindan-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid, 4-(benzo[1,3]dioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic Acid, 4-Benzo[1,3]dioxol-5-ylmethylene-1,2,3,4-tetrahydro-acridine-9-carboxylic acid
| Molecular Formula | C22H17NO4 |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 4.5386 |
| Topological Polar Surface Area | 68.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.11575 |
| Heavy Atoms | 27 |
| Complexity | 1116.7411 |
Chemical Identifiers
| CAS Number | 647036-22-4 |
|---|---|
| SMILES | C1CC(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)O |
Product Overview
4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CAS 647036-22-4), with molecular formula C22H17NO4 and molecular weight 359.12 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid.
Chemical Property Profile of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Property Insights of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
The XLogP value of 4.5386 indicates that 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-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 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid. Following Lipinski's Rule of Five, 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-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 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The CAS number of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid is 647036-22-4.
What is the molecular formula of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The molecular formula of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid is C22H17NO4.
What is the molecular weight of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The molecular weight of 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid is 359.12 g/mol.
Where can I buy 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
You can request a quote for 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-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-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,3-benzodioxol-5-ylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.