TL;DR: 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid (CAS 1023584-91-9) is a chemical compound with molecular formula C11H7F6NO5S and molecular weight 378.9949 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-methoxycarbonylthiophen-3-yl)amino]-5-oxopentanoic acid
Also Known As: 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid, 2,2,3,3,4,4-hexafluoro-5-[(2-methoxycarbonylthiophen-3-yl)amino]-5-oxopentanoic acid, 2,2,3,3,4,4-hexafluoro-5-{[2-(methoxycarbonyl)-3-thienyl]amino}-5-oxopentanoic acid, 2,2,3,3,4,4-HEXAFLUORO-4-(N-(2-(METHOXYCARBONYL)(3-THIENYL))CARBAMOYL)BUTANOIC ACID, 2,2,3,3,4,4-hexafluoro-4-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]butanoic Acid
| Molecular Formula | C11H7F6NO5S |
| Molecular Weight | 378.9949 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.9949 Da |
| Heavy Atoms | 24 |
| Complexity | 543.0 |
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F |
| InChIKey | CZRUVBYJNXFMMS-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid. Following Lipinski's Rule of Five, 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid is 1023584-91-9.
The molecular formula of 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid is C11H7F6NO5S.
The molecular weight of 2,2,3,3,4,4-hexafluoro-4-{[2-(methoxycarbonyl)thiophen-3-yl]carbamoyl}butanoic acid is 378.9949 g/mol.
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