TL;DR: 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester (CAS 24160-20-1) is a chemical compound with molecular formula C9H10F7NO2 and molecular weight 297.05997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,3,3,4,4,4-heptafluorobutyl 3-(aziridin-1-yl)propanoate
Also Known As: 1-AZIRIDINEPROPIONIC ACID, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER, 2,2,3,3,4,4,4-heptafluorobutyl 3-(aziridin-1-yl)propanoate, 1-Aziridinepropanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester, 1-Aziridinepropionic acid 2,2,3,3,4,4,4-heptafluorobutyl ester
| Molecular Formula | C9H10F7NO2 |
| Molecular Weight | 297.05997 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 297.05997 Da |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
| SMILES | C1CN1CCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | KFTQFKUTBYCXES-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. With a topological polar surface area (TPSA) of 29.3 Ų, 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 24160-20-1.
The molecular formula of 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is C9H10F7NO2.
The molecular weight of 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester is 297.05997 g/mol.
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