3-Amino-2,4,5-trichlorobenzoic acid
TL;DR: 3-Amino-2,4,5-trichlorobenzoic acid (CAS 6725-40-2) is a chemical compound with molecular formula C7H4Cl3NO2 and molecular weight 238.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2,4,5-trichlorobenzoic acid
Also Known As: 3-amino-2,4,5-trichlorobenzoic acid, 3-amino-2,4,5-trichloro-benzoic Acid
| Molecular Formula | C7H4Cl3NO2 |
|---|---|
| Molecular Weight | 238.93 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.93076 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6725-40-2 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)N)Cl)C(=O)O |
| InChIKey | FOWJBJHXTGLGGG-UHFFFAOYSA-N |
Product Overview
3-Amino-2,4,5-trichlorobenzoic acid (CAS 6725-40-2), with molecular formula C7H4Cl3NO2 and molecular weight 238.93 g/mol. IUPAC: 3-amino-2,4,5-trichlorobenzoic acid.
Chemical Property Profile of 3-Amino-2,4,5-trichlorobenzoic acid
Property Insights of 3-Amino-2,4,5-trichlorobenzoic acid
The XLogP value of 3.4 indicates that 3-Amino-2,4,5-trichlorobenzoic 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 3-Amino-2,4,5-trichlorobenzoic acid. Following Lipinski's Rule of Five, 3-Amino-2,4,5-trichlorobenzoic 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 3-Amino-2,4,5-trichlorobenzoic acid?
The CAS number of 3-Amino-2,4,5-trichlorobenzoic acid is 6725-40-2.
What is the molecular formula of 3-Amino-2,4,5-trichlorobenzoic acid?
The molecular formula of 3-Amino-2,4,5-trichlorobenzoic acid is C7H4Cl3NO2.
What is the molecular weight of 3-Amino-2,4,5-trichlorobenzoic acid?
The molecular weight of 3-Amino-2,4,5-trichlorobenzoic acid is 238.93 g/mol.
Where can I buy 3-Amino-2,4,5-trichlorobenzoic acid?
You can request a quote for 3-Amino-2,4,5-trichlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2,4,5-trichlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2,4,5-trichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.