1,5-Cyclooctadiyne
TL;DR: 1,5-Cyclooctadiyne (CAS 49852-40-6) is a chemical compound with molecular formula C8H8 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cycloocta-1,5-diyne
Also Known As: 1,5-Cyclooctadiyne, cycloocta-1,5-diyne, 1,3-bis-hydroxymethyl-1,2,2-trimethyl-cyclopentane, RefChem:73445, InChI=1/C8H8/c1-2-4-6-8-7-5-3-1/h1-2,7-8H
| Molecular Formula | C8H8 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 49852-40-6 |
|---|---|
| SMILES | C1CC#CCCC#C1 |
| InChIKey | URBAEOVIKFSRNB-UHFFFAOYSA-N |
Product Overview
1,5-Cyclooctadiyne (CAS 49852-40-6), with molecular formula C8H8 and molecular weight 104.06 g/mol. IUPAC: cycloocta-1,5-diyne.
Chemical Property Profile of 1,5-Cyclooctadiyne
Property Insights of 1,5-Cyclooctadiyne
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Cyclooctadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5-Cyclooctadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Cyclooctadiyne 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 1,5-Cyclooctadiyne?
The CAS number of 1,5-Cyclooctadiyne is 49852-40-6.
What is the molecular formula of 1,5-Cyclooctadiyne?
The molecular formula of 1,5-Cyclooctadiyne is C8H8.
What is the molecular weight of 1,5-Cyclooctadiyne?
The molecular weight of 1,5-Cyclooctadiyne is 104.06 g/mol.
Where can I buy 1,5-Cyclooctadiyne?
You can request a quote for 1,5-Cyclooctadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Cyclooctadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Cyclooctadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.