1,5,9-Cyclododecatriene-3,7,11-triyne
TL;DR: 1,5,9-Cyclododecatriene-3,7,11-triyne (CAS 6555-54-0) is a chemical compound with molecular formula C12H6 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z,5Z,9Z)-cyclododeca-1,5,9-trien-3,7,11-triyne
Also Known As: 1,5,9-Cyclododecatriene-3,7,11-triyne, Cyclododeca-1,5,9-trien-3,7,11-triyne, cyclododeca-1,5,9-triene-3,7,11-triyne, J1.526.283D, (1Z,5Z,9Z)-cyclododeca-1,5,9-trien-3,7,11-triyne
| Molecular Formula | C12H6 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 1.6788 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.04695 |
| Heavy Atoms | 12 |
| Complexity | 301.59225 |
Chemical Identifiers
| CAS Number | 6555-54-0 |
|---|---|
| SMILES | C\1=C\C#C/C=C\C#C/C=C\C#C1 |
Product Overview
1,5,9-Cyclododecatriene-3,7,11-triyne (CAS 6555-54-0), with molecular formula C12H6 and molecular weight 150.05 g/mol. IUPAC: (1Z,5Z,9Z)-cyclododeca-1,5,9-trien-3,7,11-triyne.
Chemical Property Profile of 1,5,9-Cyclododecatriene-3,7,11-triyne
Property Insights of 1,5,9-Cyclododecatriene-3,7,11-triyne
The XLogP value of 1.6788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,9-Cyclododecatriene-3,7,11-triyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5,9-Cyclododecatriene-3,7,11-triyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,9-Cyclododecatriene-3,7,11-triyne 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-Cyclododecatriene-3,7,11-triyne?
The CAS number of 1,5,9-Cyclododecatriene-3,7,11-triyne is 6555-54-0.
What is the molecular formula of 1,5,9-Cyclododecatriene-3,7,11-triyne?
The molecular formula of 1,5,9-Cyclododecatriene-3,7,11-triyne is C12H6.
What is the molecular weight of 1,5,9-Cyclododecatriene-3,7,11-triyne?
The molecular weight of 1,5,9-Cyclododecatriene-3,7,11-triyne is 150.05 g/mol.
Where can I buy 1,5,9-Cyclododecatriene-3,7,11-triyne?
You can request a quote for 1,5,9-Cyclododecatriene-3,7,11-triyne 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-Cyclododecatriene-3,7,11-triyne?
Yes, KEHONG BIO provides custom synthesis services for 1,5,9-Cyclododecatriene-3,7,11-triyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.