TL;DR: 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid (CAS 1023474-32-9) is a chemical compound with molecular formula C13H9F6NO5 and molecular weight 373.03848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3,4,4-hexafluoro-5-(2-methoxycarbonylanilino)-5-oxopentanoic acid
Also Known As: 2,2,3,3,4,4-HEXAFLUORO-4-(N-(2-(METHOXYCARBONYL)PHENYL)CARBAMOYL)BUTANOIC ACID, 2,2,3,3,4,4-hexafluoro-5-(2-methoxycarbonylanilino)-5-oxopentanoic acid, 2,2,3,3,4,4-hexafluoro-5-(2-methoxycarbonylanilino)-5-oxo-pentanoic acid, 2,2,3,3,4,4-hexafluoro-4-[(2-methoxycarbonylphenyl)carbamoyl]butanoic Acid, 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)phenyl]carbamoyl}butanoic acid
| Molecular Formula | C13H9F6NO5 |
| Molecular Weight | 373.03848 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.03848 Da |
| Heavy Atoms | 25 |
| Complexity | 553.0 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F |
| InChIKey | WZOJAVFXPYXQQA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid. Following Lipinski's Rule of Five, 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid is 1023474-32-9.
The molecular formula of 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid is C13H9F6NO5.
The molecular weight of 2,2,3,3,4,4-Hexafluoro-4-(N-(2-(methoxycarbonyl)phenyl)carbamoyl)butanoic acid is 373.03848 g/mol.
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