环辛炔
TL;DR: 环辛炔 (CAS 1781-78-8) is a chemical compound with molecular formula C1CCCC#CCC1 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环辛炔
cyclooctyne
Also Known As: Cyclooctyne, 1-Cyclooctyne, Cycloocta-1-yne, 1-Cyclooctyne #, Cyclooctane-1-yne
| Molecular Formula | C1CCCC#CCC1 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 1781-78-8 |
|---|---|
| SMILES | C1CCCC#CCC1 |
| InChIKey | ZPWOOKQUDFIEIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环辛炔 (CAS 1781-78-8), with molecular formula C1CCCC#CCC1 and molecular weight 108.09 g/mol. IUPAC: cyclooctyne.
Chemical Property Profile of 环辛炔
Property Insights of 环辛炔
The XLogP value of 3.2 indicates that 环辛炔 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 环辛炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环辛炔 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 环辛炔?
The CAS number of 环辛炔 is 1781-78-8.
What is the molecular formula of 环辛炔?
The molecular formula of 环辛炔 is C1CCCC#CCC1.
What is the molecular weight of 环辛炔?
The molecular weight of 环辛炔 is 108.09 g/mol.
Where can I buy 环辛炔?
You can request a quote for 环辛炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环辛炔?
Yes, KEHONG BIO provides custom synthesis services for 环辛炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.