2-Amino-3,4,5,6-tetrachlorobenzoic acid
TL;DR: 2-Amino-3,4,5,6-tetrachlorobenzoic acid (CAS 6946-38-9) is a chemical compound with molecular formula C7H3Cl4NO2 and molecular weight 272.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,4,5,6-tetrachlorobenzoic acid
Also Known As: 2-amino-3,4,5,6-tetrachlorobenzoic acid, tetra-chloroanthranilic acid, Benzoic acid, 2-amino-3,4,5,6-tetrachloro-, RefChem:255295
| Molecular Formula | C7H3Cl4NO2 |
|---|---|
| Molecular Weight | 272.89 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.89178 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 6946-38-9 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N)C(=O)O |
| InChIKey | CJKYKXAESHUOOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3,4,5,6-tetrachlorobenzoic acid (CAS 6946-38-9), with molecular formula C7H3Cl4NO2 and molecular weight 272.89 g/mol. IUPAC: 2-amino-3,4,5,6-tetrachlorobenzoic acid.
Chemical Property Profile of 2-Amino-3,4,5,6-tetrachlorobenzoic acid
Property Insights of 2-Amino-3,4,5,6-tetrachlorobenzoic acid
The XLogP value of 3.8 indicates that 2-Amino-3,4,5,6-tetrachlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3,4,5,6-tetrachlorobenzoic acid. Following Lipinski's Rule of Five, 2-Amino-3,4,5,6-tetrachlorobenzoic acid has 2 hydrogen bond donor(s) and 3 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-Amino-3,4,5,6-tetrachlorobenzoic acid?
The CAS number of 2-Amino-3,4,5,6-tetrachlorobenzoic acid is 6946-38-9.
What is the molecular formula of 2-Amino-3,4,5,6-tetrachlorobenzoic acid?
The molecular formula of 2-Amino-3,4,5,6-tetrachlorobenzoic acid is C7H3Cl4NO2.
What is the molecular weight of 2-Amino-3,4,5,6-tetrachlorobenzoic acid?
The molecular weight of 2-Amino-3,4,5,6-tetrachlorobenzoic acid is 272.89 g/mol.
Where can I buy 2-Amino-3,4,5,6-tetrachlorobenzoic acid?
You can request a quote for 2-Amino-3,4,5,6-tetrachlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3,4,5,6-tetrachlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3,4,5,6-tetrachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.