4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid
TL;DR: 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid (CAS 6312-08-9) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,3-dioxoinden-5-yl)methylamino]benzoic acid
Also Known As: DL 040, 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid, 4-[(1,3-dioxoinden-5-yl)methylamino]benzoic acid, 4-{[(1,3-dioxo-2,3-dihydro-1h-inden-5-yl)methyl]amino}benzoic acid, Benzoic acid, 4-(((2,3-dihydro-1,3-dioxo-1H-inden-5-yl)methyl)amino)-
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 6312-08-9 |
|---|---|
| SMILES | C1C(=O)C2=C(C1=O)C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O |
| InChIKey | WIWILTAFJMWUBL-UHFFFAOYSA-N |
Product Overview
4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid (CAS 6312-08-9), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: 4-[(1,3-dioxoinden-5-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid
Property Insights of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid. Following Lipinski's Rule of Five, 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid has 2 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 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid?
The CAS number of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid is 6312-08-9.
What is the molecular formula of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid?
The molecular formula of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid is C17H13NO4.
What is the molecular weight of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid?
The molecular weight of 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid is 295.08 g/mol.
Where can I buy 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid?
You can request a quote for 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((1,3-Benzodioxol)-5-yl)methyl)aminobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.