TL;DR: Bromohydroxyacetone phosphate (CAS 1003581-75-6) is a chemical compound with molecular formula C3H6BrO5P and molecular weight 231.91362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-bromo-2-oxopropyl) dihydrogen phosphate
Also Known As: Bromohydroxyacetone phosphate, Bromoacetol phosphate, (3-bromo-2-oxopropyl) dihydrogen phosphate, 1-Bromo-3-phosphonooxy-2-propanone, (3-Bromo-2-Oxo-Propoxy)phosphonic Acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H6BrO5P |
| Molecular Weight | 231.91362 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.91362 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | C(C(=O)CBr)OP(=O)(O)O |
| InChIKey | QXVSTTOPPFAZGJ-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that Bromohydroxyacetone phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromohydroxyacetone phosphate. Following Lipinski's Rule of Five, Bromohydroxyacetone phosphate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bromohydroxyacetone phosphate is 1003581-75-6.
The molecular formula of Bromohydroxyacetone phosphate is C3H6BrO5P.
The molecular weight of Bromohydroxyacetone phosphate is 231.91362 g/mol.
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