1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone
TL;DR: 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone (CAS 59416-97-6) is a chemical compound with molecular formula C12H20N4O4 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5,6-triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone
Also Known As: 1-(2,5,6-triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone, 1,1',1'',1'''-(1,2,5,6-Tetrazocane-1,2,5,6-tetrayl)tetra(ethan-1-one)
| Molecular Formula | C12H20N4O4 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.14847 |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 59416-97-6 |
|---|---|
| SMILES | CC(=O)N1CCN(N(CCN1C(=O)C)C(=O)C)C(=O)C |
| InChIKey | GSWJJKIPBAIIAQ-UHFFFAOYSA-N |
Product Overview
1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone (CAS 59416-97-6), with molecular formula C12H20N4O4 and molecular weight 284.15 g/mol. IUPAC: 1-(2,5,6-triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone.
Chemical Property Profile of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone
Property Insights of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone
The XLogP value of -1.6 indicates that 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone has 0 hydrogen bond donor(s) and 4 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-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone?
The CAS number of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone is 59416-97-6.
What is the molecular formula of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone?
The molecular formula of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone is C12H20N4O4.
What is the molecular weight of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone?
The molecular weight of 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone is 284.15 g/mol.
Where can I buy 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone?
You can request a quote for 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5,6-Triacetyl-1,2,5,6-tetrazocan-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.