3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid
TL;DR: 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid (CAS 77534-45-3) is a chemical compound with molecular formula C15H6Cl4F3NO3 and molecular weight 444.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
Also Known As: Phthalanilic acid der., 2,3,4,5-tetrachloro-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid, 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid, 2,3,4,5-tetrachloro-6-[[3-(trifluoromethyl)phenyl]carbamoyl], 2,3,4,5-tetrachloro-6-{[3-(trifluoromethyl)anilino]carbonyl}benzoic acid
| Molecular Formula | C15H6Cl4F3NO3 |
|---|---|
| Molecular Weight | 444.91 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.9054 |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 77534-45-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O)C(F)(F)F |
| InChIKey | NOGFQVQAZSCOFZ-UHFFFAOYSA-N |
Product Overview
3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid (CAS 77534-45-3), with molecular formula C15H6Cl4F3NO3 and molecular weight 444.91 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid
Property Insights of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid
The XLogP value of 6.3 indicates that 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid. Following Lipinski's Rule of Five, 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid?
The CAS number of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid is 77534-45-3.
What is the molecular formula of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid?
The molecular formula of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid is C15H6Cl4F3NO3.
What is the molecular weight of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid?
The molecular weight of 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid is 444.91 g/mol.
Where can I buy 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid?
You can request a quote for 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrachloro-3'-(trifluoromethyl)phthalanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.