TL;DR: ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate (CAS 1212350-26-9) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate
Also Known As: ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate, (2R,3S)-ethyl 2-butyl-3-phenyloxirane-2-carboxylate
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.14125 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.14125 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | CCCC[C@@]1([C@@H](O1)C2=CC=CC=C2)C(=O)OCC |
| InChIKey | FZOWXTHOBJFOIQ-DZGCQCFKSA-N |
The XLogP value of 3.3 indicates that ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate is 1212350-26-9.
The molecular formula of ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate is C15H20O3.
The molecular weight of ethyl (2R,3S)-2-butyl-3-phenyloxirane-2-carboxylate is 248.14125 g/mol.
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