1-Octanol, 8-bromo-
TL;DR: 1-Octanol, 8-bromo- (CAS 5453-99-6) is a chemical compound with molecular formula C8H17BrO and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromooctan-1-ol
Also Known As: 8-Bromo-1-octanol, 8-Bromooctan-1-ol, 8-Bromooctanol, 1-Octanol, 8-bromo-, Octamethylene bromohydrin
| Molecular Formula | C8H17BrO |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.04628 |
| Heavy Atoms | 10 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 5453-99-6 |
|---|---|
| SMILES | C(CCCCBr)CCCO |
| InChIKey | GMXIEASXPUEOTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octanol, 8-bromo- (CAS 5453-99-6), with molecular formula C8H17BrO and molecular weight 208.05 g/mol. IUPAC: 8-bromooctan-1-ol.
Chemical Property Profile of 1-Octanol, 8-bromo-
Property Insights of 1-Octanol, 8-bromo-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octanol, 8-bromo-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Octanol, 8-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanol, 8-bromo- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octanol, 8-bromo-?
The CAS number of 1-Octanol, 8-bromo- is 5453-99-6.
What is the molecular formula of 1-Octanol, 8-bromo-?
The molecular formula of 1-Octanol, 8-bromo- is C8H17BrO.
What is the molecular weight of 1-Octanol, 8-bromo-?
The molecular weight of 1-Octanol, 8-bromo- is 208.05 g/mol.
Where can I buy 1-Octanol, 8-bromo-?
You can request a quote for 1-Octanol, 8-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanol, 8-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanol, 8-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.