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Butyl 1-oxaspiro[2.5]octane-2-carboxylate
TL;DR: Butyl 1-oxaspiro[2.5]octane-2-carboxylate (CAS 65017-36-9) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 1-oxaspiro[2.5]octane-2-carboxylate
Also Known As: Butyl 1-oxaspiro[2.5]octane-2-carboxylate, Butyl 1-oxaspiro(2.5)octane-2-carboxylate, butyl 2-oxaspiro[2.5]octane-1-carboxylate, Oxiranecarboximidic acid,3-phenyl-,methyl ester
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 65017-36-9 |
|---|---|
| SMILES | CCCCOC(=O)C1C2(O1)CCCCC2 |
| InChIKey | UVORFDPOKRDUBA-UHFFFAOYSA-N |
Product Overview
Butyl 1-oxaspiro[2.5]octane-2-carboxylate (CAS 65017-36-9), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: butyl 1-oxaspiro[2.5]octane-2-carboxylate.
Chemical Property Profile of Butyl 1-oxaspiro[2.5]octane-2-carboxylate
Property Insights of Butyl 1-oxaspiro[2.5]octane-2-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 1-oxaspiro[2.5]octane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Butyl 1-oxaspiro[2.5]octane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 1-oxaspiro[2.5]octane-2-carboxylate 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 Butyl 1-oxaspiro[2.5]octane-2-carboxylate?
The CAS number of Butyl 1-oxaspiro[2.5]octane-2-carboxylate is 65017-36-9.
What is the molecular formula of Butyl 1-oxaspiro[2.5]octane-2-carboxylate?
The molecular formula of Butyl 1-oxaspiro[2.5]octane-2-carboxylate is C12H20O3.
What is the molecular weight of Butyl 1-oxaspiro[2.5]octane-2-carboxylate?
The molecular weight of Butyl 1-oxaspiro[2.5]octane-2-carboxylate is 212.14 g/mol.
Where can I buy Butyl 1-oxaspiro[2.5]octane-2-carboxylate?
You can request a quote for Butyl 1-oxaspiro[2.5]octane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 1-oxaspiro[2.5]octane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 1-oxaspiro[2.5]octane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.