1-Bromo-1-nitrooctan-2-ol
TL;DR: 1-Bromo-1-nitrooctan-2-ol (CAS 15509-51-0) is a chemical compound with molecular formula C8H16BrNO3 and molecular weight 253.03136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-1-nitrooctan-2-ol
Also Known As: 1-bromo-1-nitrooctan-2-ol, 1-BROMO-1-NITRO-OCTAN-2-OL, 2-Octanol,1-bromo-1-nitro-
Technical Specifications
| Molecular Formula | C8H16BrNO3 |
| Molecular Weight | 253.03136 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.03136 Da |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
| SMILES | CCCCCCC(C([N+](=O)[O-])Br)O |
| InChIKey | GWNCZMMMYVYUCI-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-1-nitrooctan-2-ol
Property Insights of 1-Bromo-1-nitrooctan-2-ol
The XLogP value of 3.2 indicates that 1-Bromo-1-nitrooctan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Bromo-1-nitrooctan-2-ol. Following Lipinski's Rule of Five, 1-Bromo-1-nitrooctan-2-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Bromo-1-nitrooctan-2-ol?
The CAS number of 1-Bromo-1-nitrooctan-2-ol is 15509-51-0.
What is the molecular formula of 1-Bromo-1-nitrooctan-2-ol?
The molecular formula of 1-Bromo-1-nitrooctan-2-ol is C8H16BrNO3.
What is the molecular weight of 1-Bromo-1-nitrooctan-2-ol?
The molecular weight of 1-Bromo-1-nitrooctan-2-ol is 253.03136 g/mol.
Where can I buy 1-Bromo-1-nitrooctan-2-ol?
You can request a quote for 1-Bromo-1-nitrooctan-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-1-nitrooctan-2-ol?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-1-nitrooctan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.