3,4,5-Trichlorobenzoic acid
TL;DR: 3,4,5-Trichlorobenzoic acid (CAS 51-39-8) is a chemical compound with molecular formula C7H3Cl3O2 and molecular weight 223.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trichlorobenzoic acid
Also Known As: 3,4,5-Trichlorobenzoic acid, 3,4,5-Trichloro-benzoicacid, 3,4,5-trichlorobenzoicacid, BENZOIC ACID, 3,4,5-TRICHLORO-, 3,4,5-TRICHLORO-BENZOIC ACID
| Molecular Formula | C7H3Cl3O2 |
|---|---|
| Molecular Weight | 223.92 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.91986 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 51-39-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C(=O)O |
| InChIKey | ICUICNRYLHKQGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trichlorobenzoic acid (CAS 51-39-8), with molecular formula C7H3Cl3O2 and molecular weight 223.92 g/mol. IUPAC: 3,4,5-trichlorobenzoic acid.
Chemical Property Profile of 3,4,5-Trichlorobenzoic acid
Property Insights of 3,4,5-Trichlorobenzoic acid
The XLogP value of 3.6 indicates that 3,4,5-Trichlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4,5-Trichlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trichlorobenzoic acid has 1 hydrogen bond donor(s) and 2 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 3,4,5-Trichlorobenzoic acid?
The CAS number of 3,4,5-Trichlorobenzoic acid is 51-39-8.
What is the molecular formula of 3,4,5-Trichlorobenzoic acid?
The molecular formula of 3,4,5-Trichlorobenzoic acid is C7H3Cl3O2.
What is the molecular weight of 3,4,5-Trichlorobenzoic acid?
The molecular weight of 3,4,5-Trichlorobenzoic acid is 223.92 g/mol.
Where can I buy 3,4,5-Trichlorobenzoic acid?
You can request a quote for 3,4,5-Trichlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trichlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trichlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.