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Ethyl spiro[2.3]hexane-1-carboxylate
TL;DR: Ethyl spiro[2.3]hexane-1-carboxylate (CAS 17202-57-2) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl spiro[2.3]hexane-2-carboxylate
Also Known As: Ethyl spiro[2.3]hexane-1-carboxylate, ethyl spiro[2.3]hexane-2-carboxylate, Spiro[2.3]hexane-1-carboxylic acid ethyl ester, ethyl spiro2.3hexane-1-carboxylate, Ethylspiro[2.3]hexane-1-carboxylate
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 17202-57-2 |
|---|---|
| SMILES | CCOC(=O)C1CC12CCC2 |
| InChIKey | NMHNCGKWEZUMIX-UHFFFAOYSA-N |
Product Overview
Ethyl spiro[2.3]hexane-1-carboxylate (CAS 17202-57-2), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: ethyl spiro[2.3]hexane-2-carboxylate.
Chemical Property Profile of Ethyl spiro[2.3]hexane-1-carboxylate
Property Insights of Ethyl spiro[2.3]hexane-1-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl spiro[2.3]hexane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl spiro[2.3]hexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl spiro[2.3]hexane-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 Ethyl spiro[2.3]hexane-1-carboxylate?
The CAS number of Ethyl spiro[2.3]hexane-1-carboxylate is 17202-57-2.
What is the molecular formula of Ethyl spiro[2.3]hexane-1-carboxylate?
The molecular formula of Ethyl spiro[2.3]hexane-1-carboxylate is C9H14O2.
What is the molecular weight of Ethyl spiro[2.3]hexane-1-carboxylate?
The molecular weight of Ethyl spiro[2.3]hexane-1-carboxylate is 154.10 g/mol.
Where can I buy Ethyl spiro[2.3]hexane-1-carboxylate?
You can request a quote for Ethyl spiro[2.3]hexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl spiro[2.3]hexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl spiro[2.3]hexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.