1-Oxaspiro(4.5)decane-2,4-dione
TL;DR: 1-Oxaspiro(4.5)decane-2,4-dione (CAS 22884-78-2) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxaspiro[4.5]decane-2,4-dione
Also Known As: 1-Oxaspiro[4.5]decane-2,4-dione, 4-oxaspiro[4.5]decane-1,3-dione, 1-Oxaspiro(4.5)decane-2,4-dione, RefChem:232793
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 22884-78-2 |
|---|---|
| SMILES | C1CCC2(CC1)C(=O)CC(=O)O2 |
| InChIKey | RAZCWQWIJJKSCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Oxaspiro(4.5)decane-2,4-dione (CAS 22884-78-2), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 1-oxaspiro[4.5]decane-2,4-dione.
Chemical Property Profile of 1-Oxaspiro(4.5)decane-2,4-dione
Property Insights of 1-Oxaspiro(4.5)decane-2,4-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxaspiro(4.5)decane-2,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Oxaspiro(4.5)decane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro(4.5)decane-2,4-dione 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 1-Oxaspiro(4.5)decane-2,4-dione?
The CAS number of 1-Oxaspiro(4.5)decane-2,4-dione is 22884-78-2.
What is the molecular formula of 1-Oxaspiro(4.5)decane-2,4-dione?
The molecular formula of 1-Oxaspiro(4.5)decane-2,4-dione is C9H12O3.
What is the molecular weight of 1-Oxaspiro(4.5)decane-2,4-dione?
The molecular weight of 1-Oxaspiro(4.5)decane-2,4-dione is 168.08 g/mol.
Where can I buy 1-Oxaspiro(4.5)decane-2,4-dione?
You can request a quote for 1-Oxaspiro(4.5)decane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxaspiro(4.5)decane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxaspiro(4.5)decane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.