2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate
TL;DR: 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate (CAS 80393-44-8) is a chemical compound with molecular formula C5H11BrO9P2 and molecular weight 355.90616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-bromo-3-oxo-5-phosphonooxypentyl) dihydrogen phosphate
Also Known As: Br-Pentanone-P2, 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate, (2-bromo-3-oxo-5-phosphonooxypentyl) dihydrogen phosphate, 2-Bromo-3-oxopentane-1,5-diyl bis(dihydrogen phosphate), 2-Bromo-3-oxopentane-1,5-diyl bis[dihydrogen (phosphate)]
Technical Specifications
| Molecular Formula | C5H11BrO9P2 |
| Molecular Weight | 355.90616 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.90616 Da |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
| SMILES | C(COP(=O)(O)O)C(=O)C(COP(=O)(O)O)Br |
| InChIKey | YIPOCKJBXZVONA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate
Property Insights of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate
The XLogP value of -2.9 indicates that 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate?
The CAS number of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate is 80393-44-8.
What is the molecular formula of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate?
The molecular formula of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate is C5H11BrO9P2.
What is the molecular weight of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate?
The molecular weight of 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate is 355.90616 g/mol.
Where can I buy 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate?
You can request a quote for 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.