1,4-Diazabicyclo(3.2.2)nonan-3-one
TL;DR: 1,4-Diazabicyclo(3.2.2)nonan-3-one (CAS 53619-11-7) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diazabicyclo[3.2.2]nonan-3-one
Also Known As: 1,4-diazabicyclo[3.2.2]nonan-3-one, 3-Oxo-1,4-diazabicyclo[3.2.2]nonane, 1,4-Diaza-bicyclo[3.2.2]nonan-3-one, 7645AB, 1,4-Diazabicyclo3.2.2nonan-3-one
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | -0.4194 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 133.68509 |
Chemical Identifiers
| CAS Number | 53619-11-7 |
|---|---|
| SMILES | C1CN2CCC1NC(=O)C2 |
Product Overview
1,4-Diazabicyclo(3.2.2)nonan-3-one (CAS 53619-11-7), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: 1,4-diazabicyclo[3.2.2]nonan-3-one.
Chemical Property Profile of 1,4-Diazabicyclo(3.2.2)nonan-3-one
Property Insights of 1,4-Diazabicyclo(3.2.2)nonan-3-one
The XLogP value of -0.4194 indicates that 1,4-Diazabicyclo(3.2.2)nonan-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.34 Ų, 1,4-Diazabicyclo(3.2.2)nonan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diazabicyclo(3.2.2)nonan-3-one 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 1,4-Diazabicyclo(3.2.2)nonan-3-one?
The CAS number of 1,4-Diazabicyclo(3.2.2)nonan-3-one is 53619-11-7.
What is the molecular formula of 1,4-Diazabicyclo(3.2.2)nonan-3-one?
The molecular formula of 1,4-Diazabicyclo(3.2.2)nonan-3-one is C7H12N2O.
What is the molecular weight of 1,4-Diazabicyclo(3.2.2)nonan-3-one?
The molecular weight of 1,4-Diazabicyclo(3.2.2)nonan-3-one is 140.09 g/mol.
Where can I buy 1,4-Diazabicyclo(3.2.2)nonan-3-one?
You can request a quote for 1,4-Diazabicyclo(3.2.2)nonan-3-one 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(3.2.2)nonan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diazabicyclo(3.2.2)nonan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.