5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid
TL;DR: 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid (CAS 879072-55-6) is a chemical compound with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzoic acid
Also Known As: 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-chlorobenzoic acid, ASN 15391231, 5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzoic acid, AN-465/43369380, Benzoic acid, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-chloro-
| Molecular Formula | C15H12ClNO4 |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 3.379 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.04547 |
| Heavy Atoms | 21 |
| Complexity | 702.0681 |
Chemical Identifiers
| CAS Number | 879072-55-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid (CAS 879072-55-6), with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzoic acid.
Chemical Property Profile of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid
Property Insights of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid
The XLogP value of 3.379 indicates that 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid has 2 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 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid?
The CAS number of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid is 879072-55-6.
What is the molecular formula of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid?
The molecular formula of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid is C15H12ClNO4.
What is the molecular weight of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid?
The molecular weight of 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid is 305.05 g/mol.
Where can I buy 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid?
You can request a quote for 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-((1,3-Benzodioxol-5-ylmethyl)amino)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.