![1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester structure](/static/products/5713/57133-55-8.webp)
1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
TL;DR: 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester (CAS 57133-55-8) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate
Also Known As: ethyl 2-{1,4-dioxaspiro[4.5]decan-6-yl}acetate, 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester, ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate, Ethyl 1,4-dioxaspiro[4.5]dec-6-ylacetate, Ethyl 1,4-dioxaspiro[4.5]dec-6-ylacetate #
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 57133-55-8 |
|---|---|
| SMILES | CCOC(=O)CC1CCCCC12OCCO2 |
| InChIKey | RQCRKRWTYLZRSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester (CAS 57133-55-8), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: ethyl 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetate.
Chemical Property Profile of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
Property Insights of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester has 0 hydrogen bond donor(s) and 4 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]decane-6-acetic acid, ethyl ester?
The CAS number of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester is 57133-55-8.
What is the molecular formula of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester?
The molecular formula of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester is C12H20O4.
What is the molecular weight of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester?
The molecular weight of 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester is 228.14 g/mol.
Where can I buy 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester?
You can request a quote for 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester 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]decane-6-acetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxaspiro[4.5]decane-6-acetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.