![1,4-Dioxaspiro[2.4]heptan-5-one structure](/static/products/126/126091-78-9.png)
1,4-Dioxaspiro[2.4]heptan-5-one
TL;DR: 1,4-Dioxaspiro[2.4]heptan-5-one (CAS 126091-78-9) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxaspiro[2.4]heptan-5-one
Also Known As: 1,4-Dioxaspiro[2.4]heptan-5-one, 1,4-dioxaspiro(2.4)heptan-5-one, 1,4-dioxaspiro[2.4]heptan-5-on, 2,7-dioxaspiro[2.4]heptan-6-one
| Molecular Formula | C5H6O3 |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.03169 |
| Heavy Atoms | 8 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 126091-78-9 |
|---|---|
| SMILES | C1CC2(CO2)OC1=O |
| InChIKey | CLMYFEOGMAMSDX-UHFFFAOYSA-N |
Product Overview
1,4-Dioxaspiro[2.4]heptan-5-one (CAS 126091-78-9), with molecular formula C5H6O3 and molecular weight 114.03 g/mol. IUPAC: 1,4-dioxaspiro[2.4]heptan-5-one.
Chemical Property Profile of 1,4-Dioxaspiro[2.4]heptan-5-one
Property Insights of 1,4-Dioxaspiro[2.4]heptan-5-one
The XLogP value of -0.2 indicates that 1,4-Dioxaspiro[2.4]heptan-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.8 Ų, 1,4-Dioxaspiro[2.4]heptan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxaspiro[2.4]heptan-5-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[2.4]heptan-5-one?
The CAS number of 1,4-Dioxaspiro[2.4]heptan-5-one is 126091-78-9.
What is the molecular formula of 1,4-Dioxaspiro[2.4]heptan-5-one?
The molecular formula of 1,4-Dioxaspiro[2.4]heptan-5-one is C5H6O3.
What is the molecular weight of 1,4-Dioxaspiro[2.4]heptan-5-one?
The molecular weight of 1,4-Dioxaspiro[2.4]heptan-5-one is 114.03 g/mol.
Where can I buy 1,4-Dioxaspiro[2.4]heptan-5-one?
You can request a quote for 1,4-Dioxaspiro[2.4]heptan-5-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[2.4]heptan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxaspiro[2.4]heptan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.