Bicyclo(3.2.2)nonane-2,3,4-trione
TL;DR: Bicyclo(3.2.2)nonane-2,3,4-trione (CAS 57744-40-8) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[3.2.2]nonane-2,3,4-trione
Also Known As: Bicyclo(3.2.2)nonane-2,3,4-trione, Bicyclo[3.2.2]nonane-2,3,4-trione
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 57744-40-8 |
|---|---|
| SMILES | C1CC2CCC1C(=O)C(=O)C2=O |
| InChIKey | BJVWZXQLAJZMJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(3.2.2)nonane-2,3,4-trione (CAS 57744-40-8), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: bicyclo[3.2.2]nonane-2,3,4-trione.
Chemical Property Profile of Bicyclo(3.2.2)nonane-2,3,4-trione
Property Insights of Bicyclo(3.2.2)nonane-2,3,4-trione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(3.2.2)nonane-2,3,4-trione. With a topological polar surface area (TPSA) of 51.2 Ų, Bicyclo(3.2.2)nonane-2,3,4-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(3.2.2)nonane-2,3,4-trione 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 Bicyclo(3.2.2)nonane-2,3,4-trione?
The CAS number of Bicyclo(3.2.2)nonane-2,3,4-trione is 57744-40-8.
What is the molecular formula of Bicyclo(3.2.2)nonane-2,3,4-trione?
The molecular formula of Bicyclo(3.2.2)nonane-2,3,4-trione is C9H10O3.
What is the molecular weight of Bicyclo(3.2.2)nonane-2,3,4-trione?
The molecular weight of Bicyclo(3.2.2)nonane-2,3,4-trione is 166.06 g/mol.
Where can I buy Bicyclo(3.2.2)nonane-2,3,4-trione?
You can request a quote for Bicyclo(3.2.2)nonane-2,3,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.2.2)nonane-2,3,4-trione?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.2.2)nonane-2,3,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.