1-Octyne, 1-bromo-8-chloro-
TL;DR: 1-Octyne, 1-bromo-8-chloro- (CAS 71487-12-2) is a chemical compound with molecular formula C8H12BrCl and molecular weight 221.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-8-chlorooct-1-yne
Also Known As: 1-Bromo-8-chloro-1-octyne, 1-Octyne, 1-bromo-8-chloro-, 1-bromo-8-chlorooct-1-yne, RefChem:76791
| Molecular Formula | C8H12BrCl |
|---|---|
| Molecular Weight | 221.98 g/mol |
| LogP | 3.5315 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.9811 |
| Heavy Atoms | 10 |
| Complexity | 112.16134 |
Chemical Identifiers
| CAS Number | 71487-12-2 |
|---|---|
| SMILES | C(CCCCl)CCC#CBr |
Product Overview
1-Octyne, 1-bromo-8-chloro- (CAS 71487-12-2), with molecular formula C8H12BrCl and molecular weight 221.98 g/mol. IUPAC: 1-bromo-8-chlorooct-1-yne.
Chemical Property Profile of 1-Octyne, 1-bromo-8-chloro-
Property Insights of 1-Octyne, 1-bromo-8-chloro-
The XLogP value of 3.5315 indicates that 1-Octyne, 1-bromo-8-chloro- 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-Octyne, 1-bromo-8-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyne, 1-bromo-8-chloro- 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-Octyne, 1-bromo-8-chloro-?
The CAS number of 1-Octyne, 1-bromo-8-chloro- is 71487-12-2.
What is the molecular formula of 1-Octyne, 1-bromo-8-chloro-?
The molecular formula of 1-Octyne, 1-bromo-8-chloro- is C8H12BrCl.
What is the molecular weight of 1-Octyne, 1-bromo-8-chloro-?
The molecular weight of 1-Octyne, 1-bromo-8-chloro- is 221.98 g/mol.
Where can I buy 1-Octyne, 1-bromo-8-chloro-?
You can request a quote for 1-Octyne, 1-bromo-8-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octyne, 1-bromo-8-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octyne, 1-bromo-8-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.