TL;DR: (S)-2-((3-Bromophenoxy)methyl)oxirane (CAS 1024843-97-7) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(3-bromophenoxy)methyl]oxirane
Also Known As: (S)-2-((3-BROMOPHENOXY)METHYL)OXIRANE, (2S)- 2-[(3-broMophenoxy)Methyl]-oxirane, (2S)-2-[(3-bromophenoxy)methyl]oxirane, (S)-2-((3-bromophenoxy)methyl) oxirane, (S)-2-((3-Bromo-phenoxy)methyl)oxirane
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 227.97859 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C1[C@H](O1)COC2=CC(=CC=C2)Br |
| InChIKey | MJDGHPATEBXUTI-SECBINFHSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((3-Bromophenoxy)methyl)oxirane. With a topological polar surface area (TPSA) of 21.8 Ų, (S)-2-((3-Bromophenoxy)methyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-((3-Bromophenoxy)methyl)oxirane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-2-((3-Bromophenoxy)methyl)oxirane is 1024843-97-7.
The molecular formula of (S)-2-((3-Bromophenoxy)methyl)oxirane is C9H9BrO2.
The molecular weight of (S)-2-((3-Bromophenoxy)methyl)oxirane is 227.97859 g/mol.
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