2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid
TL;DR: 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid (CAS 67905-38-8) is a chemical compound with molecular formula C20H27Cl4NO3 and molecular weight 469.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-(dihexylcarbamoyl)benzoic acid
Also Known As: 3,4,5,6-Tetrachloro-N-dihexylphthalamic acid, 2,3,4,5-tetrachloro-6-(dihexylcarbamoyl)benzoic acid, Benzoic acid, 2,3,4,5-tetrachloro-6-[(dihexylamino)carbonyl]-, 2,3,4,5-TETRACHLORO-6-[(DIHEXYLAMINO)CARBONYL]BENZOIC ACID, Benzoic acid, 2,3,4,5-tetrachloro-6-((dihexylamino)carbonyl)-
| Molecular Formula | C20H27Cl4NO3 |
|---|---|
| Molecular Weight | 469.07 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 471.07156 |
| Heavy Atoms | 28 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 67905-38-8 |
|---|---|
| SMILES | CCCCCCN(CCCCCC)C(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | DOVOIHLVRGFQDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid (CAS 67905-38-8), with molecular formula C20H27Cl4NO3 and molecular weight 469.07 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-(dihexylcarbamoyl)benzoic acid.
Chemical Property Profile of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid
Property Insights of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid
The XLogP value of 8.1 indicates that 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic 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 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid?
The CAS number of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid is 67905-38-8.
What is the molecular formula of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid?
The molecular formula of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid is C20H27Cl4NO3.
What is the molecular weight of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid?
The molecular weight of 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid is 469.07 g/mol.
Where can I buy 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid?
You can request a quote for 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrachloro-6-((dihexylamino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.