1,5,9-Cyclododecatriyne
TL;DR: 1,5,9-Cyclododecatriyne (CAS 60323-50-4) is a chemical compound with molecular formula C12H12 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclododeca-1,5,9-triyne
Also Known As: 1,5,9-Cyclododecatriyne, cyclododeca-1,5,9-triyne, 1,5,9-Cyclododecatriin, RefChem:73417
| Molecular Formula | C12H12 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0939 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 60323-50-4 |
|---|---|
| SMILES | C1CC#CCCC#CCCC#C1 |
| InChIKey | PYXWKTZVNXGDJK-UHFFFAOYSA-N |
Product Overview
1,5,9-Cyclododecatriyne (CAS 60323-50-4), with molecular formula C12H12 and molecular weight 156.09 g/mol. IUPAC: cyclododeca-1,5,9-triyne.
Chemical Property Profile of 1,5,9-Cyclododecatriyne
Property Insights of 1,5,9-Cyclododecatriyne
The XLogP value of 3.0 indicates that 1,5,9-Cyclododecatriyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5,9-Cyclododecatriyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,9-Cyclododecatriyne 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 1,5,9-Cyclododecatriyne?
The CAS number of 1,5,9-Cyclododecatriyne is 60323-50-4.
What is the molecular formula of 1,5,9-Cyclododecatriyne?
The molecular formula of 1,5,9-Cyclododecatriyne is C12H12.
What is the molecular weight of 1,5,9-Cyclododecatriyne?
The molecular weight of 1,5,9-Cyclododecatriyne is 156.09 g/mol.
Where can I buy 1,5,9-Cyclododecatriyne?
You can request a quote for 1,5,9-Cyclododecatriyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,9-Cyclododecatriyne?
Yes, KEHONG BIO provides custom synthesis services for 1,5,9-Cyclododecatriyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.