1-溴己烷
TL;DR: 1-溴己烷 (CAS 111-25-1) is a chemical compound with molecular formula C6H13Br and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-溴己烷
1-bromohexane
Also Known As: 1-BROMOHEXANE, Hexyl bromide, n-Hexyl bromide, Bromohexane, 1-Hexyl bromide
| Molecular Formula | C6H13Br |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.02007 |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Melting Point | -84.7 °C |
| Boiling Point | 155.3 °C @760 [mm Hg] |
| Density | 1.1744 @ 20°C |
| Vapor Pressure | 3.9 [mmHg] |
Chemical Identifiers
| CAS Number | 111-25-1 |
|---|---|
| SMILES | CCCCCCBr |
| InChIKey | MNDIARAMWBIKFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-溴己烷 (CAS 111-25-1), with molecular formula C6H13Br and molecular weight 164.02 g/mol. IUPAC: 1-bromohexane.
Chemical Property Profile of 1-溴己烷
Property Insights of 1-溴己烷
The XLogP value of 3.8 indicates that 1-溴己烷 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-溴己烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-溴己烷 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-溴己烷?
The CAS number of 1-溴己烷 is 111-25-1.
What is the molecular formula of 1-溴己烷?
The molecular formula of 1-溴己烷 is C6H13Br.
What is the molecular weight of 1-溴己烷?
The molecular weight of 1-溴己烷 is 164.02 g/mol.
Where can I buy 1-溴己烷?
You can request a quote for 1-溴己烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-溴己烷?
Yes, KEHONG BIO provides custom synthesis services for 1-溴己烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.