1-Bromooctane
TL;DR: 1-Bromooctane (CAS 111-83-1) is a chemical compound with molecular formula C8H17Br and molecular weight 192.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromooctane
Also Known As: 1-Bromooctane, n-Octyl bromide, Octyl bromide, 1-Octylbromide, 1-Bromo-octane
| Molecular Formula | C8H17Br |
|---|---|
| Molecular Weight | 192.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.05136 |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | -55 °C |
| Boiling Point | 201.5 °C @760 [mm Hg] |
| Density | 1.11 @25 °C |
| Vapor Pressure | 0.34 [mmHg] |
Chemical Identifiers
| CAS Number | 111-83-1 |
|---|---|
| SMILES | CCCCCCCCBr |
| InChIKey | VMKOFRJSULQZRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromooctane (CAS 111-83-1), with molecular formula C8H17Br and molecular weight 192.05 g/mol. IUPAC: 1-bromooctane.
Chemical Property Profile of 1-Bromooctane
Property Insights of 1-Bromooctane
The XLogP value of 4.9 indicates that 1-Bromooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromooctane has 0 hydrogen bond donor(s) and 0 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-Bromooctane?
The CAS number of 1-Bromooctane is 111-83-1.
What is the molecular formula of 1-Bromooctane?
The molecular formula of 1-Bromooctane is C8H17Br.
What is the molecular weight of 1-Bromooctane?
The molecular weight of 1-Bromooctane is 192.05 g/mol.
Where can I buy 1-Bromooctane?
You can request a quote for 1-Bromooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromooctane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.