TL;DR: (2S,3S)-2,3-dibromobutane-1,4-diol (CAS 1081516-37-1) is a chemical compound with molecular formula C4H8Br2O2 and molecular weight 245.8891 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2,3-dibromobutane-1,4-diol
Also Known As: (S,S)-2,3-dibromo-butane-1,4-diol, (2S,3S)-2,3-dibromobutane-1,4-diol, (2S,3S)-2,3-Dibromo-1,4-butanediol
| Molecular Formula | C4H8Br2O2 |
| Molecular Weight | 245.8891 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.8891 Da |
| Heavy Atoms | 8 |
| Complexity | 52.0 |
| SMILES | C([C@@H]([C@H](CO)Br)Br)O |
| InChIKey | OXYNQEOLHRWEPE-IMJSIDKUSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2,3-dibromobutane-1,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, (2S,3S)-2,3-dibromobutane-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3S)-2,3-dibromobutane-1,4-diol has 2 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 (2S,3S)-2,3-dibromobutane-1,4-diol is 1081516-37-1.
The molecular formula of (2S,3S)-2,3-dibromobutane-1,4-diol is C4H8Br2O2.
The molecular weight of (2S,3S)-2,3-dibromobutane-1,4-diol is 245.8891 g/mol.
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