2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid
TL;DR: 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid (CAS 7335-76-4) is a chemical compound with molecular formula C14H6Cl4O3 and molecular weight 361.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-3,4,5,6-tetrachlorobenzoic acid
Also Known As: 2-benzoyl-3,4,5,6-tetrachlorobenzoic acid, 2-Benzoyl-3,4,5,6-tetrachlor-benzoesaeure, J1.729.498I, Benzoic acid, 2-benzoyl-3,4,5,6-tetrachloro-, RefChem:256451
| Molecular Formula | C14H6Cl4O3 |
|---|---|
| Molecular Weight | 361.91 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.9071 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 7335-76-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | IPULFRPFZGMSED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid (CAS 7335-76-4), with molecular formula C14H6Cl4O3 and molecular weight 361.91 g/mol. IUPAC: 2-benzoyl-3,4,5,6-tetrachlorobenzoic acid.
Chemical Property Profile of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid
Property Insights of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid
The XLogP value of 5.3 indicates that 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid?
The CAS number of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid is 7335-76-4.
What is the molecular formula of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid?
The molecular formula of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid is C14H6Cl4O3.
What is the molecular weight of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid?
The molecular weight of 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid is 361.91 g/mol.
Where can I buy 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid?
You can request a quote for 2-Benzoyl-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-Benzoyl-3,4,5,6-tetrachlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-3,4,5,6-tetrachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.