1-Bromo-2-octyne
TL;DR: 1-Bromo-2-octyne (CAS 18495-27-7) is a chemical compound with molecular formula C8H13Br and molecular weight 188.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromooct-2-yne
Also Known As: 1-Bromo-2-octyne, 1-bromooct-2-yne, 2-octynyl bromide, 2-Octyne, 1-bromo-, 1-Brom-2-octin
| Molecular Formula | C8H13Br |
|---|---|
| Molecular Weight | 188.02 g/mol |
| LogP | 2.965 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.02007 |
| Heavy Atoms | 9 |
| Complexity | 96.8706 |
Chemical Identifiers
| CAS Number | 18495-27-7 |
|---|---|
| SMILES | CCCCCC#CCBr |
Product Overview
1-Bromo-2-octyne (CAS 18495-27-7), with molecular formula C8H13Br and molecular weight 188.02 g/mol. IUPAC: 1-bromooct-2-yne.
Chemical Property Profile of 1-Bromo-2-octyne
Property Insights of 1-Bromo-2-octyne
The XLogP value of 2.965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-2-octyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-octyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-octyne 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-2-octyne?
The CAS number of 1-Bromo-2-octyne is 18495-27-7.
What is the molecular formula of 1-Bromo-2-octyne?
The molecular formula of 1-Bromo-2-octyne is C8H13Br.
What is the molecular weight of 1-Bromo-2-octyne?
The molecular weight of 1-Bromo-2-octyne is 188.02 g/mol.
Where can I buy 1-Bromo-2-octyne?
You can request a quote for 1-Bromo-2-octyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-octyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-octyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.