TL;DR: 1-Bromo-2-propanol, (-)- (CAS 113429-86-0) is a chemical compound with molecular formula C3H7BrO and molecular weight 137.96803 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-1-bromopropan-2-ol
Also Known As: (2R)-1-bromopropan-2-ol, 1-BROMOPROPANE-2-OL, (R)-1-Bromopropan-2-ol, (R)-1-Bromo-2-propanol, 1-Bromo-2-propanol, (R)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H7BrO |
| Molecular Weight | 137.96803 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.96803 Da |
| Heavy Atoms | 5 |
| Complexity | 22.0 |
| SMILES | C[C@H](CBr)O |
| InChIKey | WEGOLYBUWCMMMY-GSVOUGTGSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2-propanol, (-)-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Bromo-2-propanol, (-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-propanol, (-)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Bromo-2-propanol, (-)- is 113429-86-0.
The molecular formula of 1-Bromo-2-propanol, (-)- is C3H7BrO.
The molecular weight of 1-Bromo-2-propanol, (-)- is 137.96803 g/mol.
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