1,4-Dioxaspiro(4.5)decan-2-one
TL;DR: 1,4-Dioxaspiro(4.5)decan-2-one (CAS 4423-79-4) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxaspiro[4.5]decan-3-one
Also Known As: 1,4-Dioxaspiro[4.5]decan-2-one, 2,2-Pentamethylene-1,3-dioxolan-4-one, 1,4-dioxaspiro[4.5]decan-3-one, 3-amino-6-methylthiopyridazine, 1,4-Dioxaspiro(4.5)decan-2-one
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 4423-79-4 |
|---|---|
| SMILES | C1CCC2(CC1)OCC(=O)O2 |
| InChIKey | HBGAMCTZOLJGAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dioxaspiro(4.5)decan-2-one (CAS 4423-79-4), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 1,4-dioxaspiro[4.5]decan-3-one.
Chemical Property Profile of 1,4-Dioxaspiro(4.5)decan-2-one
Property Insights of 1,4-Dioxaspiro(4.5)decan-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dioxaspiro(4.5)decan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1,4-Dioxaspiro(4.5)decan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxaspiro(4.5)decan-2-one 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 1,4-Dioxaspiro(4.5)decan-2-one?
The CAS number of 1,4-Dioxaspiro(4.5)decan-2-one is 4423-79-4.
What is the molecular formula of 1,4-Dioxaspiro(4.5)decan-2-one?
The molecular formula of 1,4-Dioxaspiro(4.5)decan-2-one is C8H12O3.
What is the molecular weight of 1,4-Dioxaspiro(4.5)decan-2-one?
The molecular weight of 1,4-Dioxaspiro(4.5)decan-2-one is 156.08 g/mol.
Where can I buy 1,4-Dioxaspiro(4.5)decan-2-one?
You can request a quote for 1,4-Dioxaspiro(4.5)decan-2-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-Dioxaspiro(4.5)decan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxaspiro(4.5)decan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.