![2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one structure](/static/products/2992/29924-76-3.webp)
2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one
TL;DR: 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one (CAS 29924-76-3) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one
Also Known As: 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one, 1,2,4-Triazabicyclo[2.2.2]octan-3-one, 2-acetyl-, 3-acetyl-1,3,4-triazabicyclo[2.2.2]octan-2-one, 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one #
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 29924-76-3 |
|---|---|
| SMILES | CC(=O)N1C(=O)N2CCN1CC2 |
| InChIKey | IXMCMEFVANSSIZ-UHFFFAOYSA-N |
Product Overview
2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one (CAS 29924-76-3), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: 2-acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one
Property Insights of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one
The XLogP value of -0.7 indicates that 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.9 Ų, 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one has 0 hydrogen bond donor(s) and 3 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 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one?
The CAS number of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one is 29924-76-3.
What is the molecular formula of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one?
The molecular formula of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one is C7H11N3O2.
What is the molecular weight of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one?
The molecular weight of 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one is 169.09 g/mol.
Where can I buy 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one?
You can request a quote for 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.