2-Acetyl-3,4,5,6-tetrachlorobenzoic acid
TL;DR: 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid (CAS 40285-25-4) is a chemical compound with molecular formula C9H4Cl4O3 and molecular weight 299.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3,4,5,6-tetrachlorobenzoic acid
Also Known As: 2-acetyl-3,4,5,6-tetrachlorobenzoic acid, 2-Acetyl-3,4,5,6-tetrachlorobenzoesaure, 2-acetyl-3,4,5,6-tetrachloro-benzoic Acid
| Molecular Formula | C9H4Cl4O3 |
|---|---|
| Molecular Weight | 299.89 g/mol |
| LogP | 4.201 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.89145 |
| Heavy Atoms | 16 |
| Complexity | 451.26285 |
Chemical Identifiers
| CAS Number | 40285-25-4 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
2-Acetyl-3,4,5,6-tetrachlorobenzoic acid (CAS 40285-25-4), with molecular formula C9H4Cl4O3 and molecular weight 299.89 g/mol. IUPAC: 2-acetyl-3,4,5,6-tetrachlorobenzoic acid.
Chemical Property Profile of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid
Property Insights of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid
The XLogP value of 4.201 indicates that 2-Acetyl-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 54.37 Ų, 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3,4,5,6-tetrachlorobenzoic 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 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid?
The CAS number of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid is 40285-25-4.
What is the molecular formula of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid?
The molecular formula of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid is C9H4Cl4O3.
What is the molecular weight of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid?
The molecular weight of 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid is 299.89 g/mol.
Where can I buy 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid?
You can request a quote for 2-Acetyl-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-Acetyl-3,4,5,6-tetrachlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3,4,5,6-tetrachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.