2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid
TL;DR: 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid (CAS 1023859-50-8) is a chemical compound with molecular formula C16H5Cl4F6NO3 and molecular weight 512.89276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4,5,6-tetrachlorobenzoic acid
Also Known As: 2-(N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)-3,4,5,6-TETRACHLOROBENZOIC ACID, 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4,5,6-tetrachlorobenzoic acid, 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4,5,6-tetrachloro-benzoic Acid, 2-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-3,4,5,6-tetrachlorobenzoic acid, C16H5Cl4F6NO3
Technical Specifications
| Molecular Formula | C16H5Cl4F6NO3 |
| Molecular Weight | 512.89276 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.89276 Da |
| Heavy Atoms | 30 |
| Complexity | 642.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O)C(F)(F)F |
| InChIKey | YAQNSRKCFSSQFI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid
Property Insights of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid
The XLogP value of 6.6 indicates that 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic 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 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid. Following Lipinski's Rule of Five, 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid?
The CAS number of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid is 1023859-50-8.
What is the molecular formula of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid?
The molecular formula of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid is C16H5Cl4F6NO3.
What is the molecular weight of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid?
The molecular weight of 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid is 512.89276 g/mol.
Where can I buy 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid?
You can request a quote for 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(N-(3,5-Bis(trifluoromethyl)phenyl)carbamoyl)-3,4,5,6-tetrachlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.