![1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) structure](/static/products/5139/51390-22-8.webp)
1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)
TL;DR: 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) (CAS 51390-22-8) is a chemical compound with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;1,4-diazabicyclo[2.2.2]octane
Also Known As: Triethylenediamine, Triethylenediamine diacetate, o-sec-4-tert-Butylphenol, 1,4-Diazabicyclo[2.2.2]octane, diacetate, acetic acid;1,4-diazabicyclo[2.2.2]octane
| Molecular Formula | C10H20N2O4 |
|---|---|
| Molecular Weight | 232.14 g/mol |
| LogP | -0.2006 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.1423 |
| Heavy Atoms | 16 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 51390-22-8 |
|---|---|
| SMILES | CC(=O)O.CC(=O)O.C1CN2CCN1CC2 |
| InChIKey | RKUAEGPJBZAVCE-UHFFFAOYSA-N |
Product Overview
1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) (CAS 51390-22-8), with molecular formula C10H20N2O4 and molecular weight 232.14 g/mol. IUPAC: acetic acid;1,4-diazabicyclo[2.2.2]octane.
Chemical Property Profile of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)
Property Insights of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)
The XLogP value of -0.2006 indicates that 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2). Following Lipinski's Rule of Five, 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) has 2 hydrogen bond donor(s) and 6 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 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)?
The CAS number of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) is 51390-22-8.
What is the molecular formula of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)?
The molecular formula of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) is C10H20N2O4.
What is the molecular weight of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)?
The molecular weight of 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) is 232.14 g/mol.
Where can I buy 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)?
You can request a quote for 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diazabicyclo[2.2.2]octane, acetate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.