1-Bromo-1-hexyne
TL;DR: 1-Bromo-1-hexyne (CAS 1119-64-8) is a chemical compound with molecular formula C6H9Br and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromohex-1-yne
Also Known As: 1-Hexyne, 1-bromo-, 1-bromohex-1-yne, 1-bromo-1-hexyne, 1-hexynyl bromide, 1-Bromhexin(1)
| Molecular Formula | C6H9Br |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.98875 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 1119-64-8 |
|---|---|
| SMILES | CCCCC#CBr |
| InChIKey | IOKIELYKONFEPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-1-hexyne (CAS 1119-64-8), with molecular formula C6H9Br and molecular weight 159.99 g/mol. IUPAC: 1-bromohex-1-yne.
Chemical Property Profile of 1-Bromo-1-hexyne
Property Insights of 1-Bromo-1-hexyne
The XLogP value of 3.5 indicates that 1-Bromo-1-hexyne 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-Bromo-1-hexyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-1-hexyne 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-Bromo-1-hexyne?
The CAS number of 1-Bromo-1-hexyne is 1119-64-8.
What is the molecular formula of 1-Bromo-1-hexyne?
The molecular formula of 1-Bromo-1-hexyne is C6H9Br.
What is the molecular weight of 1-Bromo-1-hexyne?
The molecular weight of 1-Bromo-1-hexyne is 159.99 g/mol.
Where can I buy 1-Bromo-1-hexyne?
You can request a quote for 1-Bromo-1-hexyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-1-hexyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-1-hexyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.