![1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane structure](/static/products/1699/169957-58-8.webp)
1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
TL;DR: 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 169957-58-8) is a chemical compound with molecular formula C8H16N3O+ and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)acetamide
Also Known As: 2-(1,4-diazabicyclo[2.2.2]octyl)acetamide, 1-(2-amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane, 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetamide, 1-(Carbamoylmethyl)-1,4-diazabicyclo[2.2.2]octane-1-ium, 1-(2-Amino-2-oxoethyl)-1,4-diazabicyclo[2.2.2]octan-1-ium
| Molecular Formula | C8H16N3O+ |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | -1.3823 |
| Topological Polar Surface Area | 46.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.12933 |
| Heavy Atoms | 12 |
| Complexity | 182.70522 |
Chemical Identifiers
| CAS Number | 169957-58-8 |
|---|---|
| SMILES | C1C[N+]2(CCN1CC2)CC(=O)N |
Product Overview
1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 169957-58-8), with molecular formula C8H16N3O+ and molecular weight 170.13 g/mol. IUPAC: 2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)acetamide.
Chemical Property Profile of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
Property Insights of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane
The XLogP value of -1.3823 indicates that 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.33 Ų, 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane has 1 hydrogen bond donor(s) and 2 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-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
The CAS number of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane is 169957-58-8.
What is the molecular formula of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular formula of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane is C8H16N3O+.
What is the molecular weight of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular weight of 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane is 170.13 g/mol.
Where can I buy 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
You can request a quote for 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Amino-2-oxoethyl)-4-aza-1-azoniabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.