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2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester
TL;DR: 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester (CAS 61858-03-5) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate
Also Known As: 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester, BB 0218279, J3.121.781D, ETHYL 2-OXO-1-OXASPIRO[4.5]DECANE-4-CARBOXYLATE, AB00076470-01
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.8155 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 291.3939 |
Chemical Identifiers
| CAS Number | 61858-03-5 |
|---|---|
| SMILES | CCOC(=O)C1CC(=O)OC12CCCCC2 |
Product Overview
2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester (CAS 61858-03-5), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: ethyl 2-oxo-1-oxaspiro[4.5]decane-4-carboxylate.
Chemical Property Profile of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester
Property Insights of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester
The XLogP value of 1.8155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic 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 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester?
The CAS number of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester is 61858-03-5.
What is the molecular formula of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester?
The molecular formula of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester is C12H18O4.
What is the molecular weight of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester?
The molecular weight of 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester is 226.12 g/mol.
Where can I buy 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester?
You can request a quote for 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic 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 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1-oxa-spiro[4.5]decane-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.