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Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate
TL;DR: Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate (CAS 4791-69-9) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl spiro[oxirane-3,8'-tricyclo[5.2.1.02,6]decane]-2-carboxylate
Also Known As: Ethyl octahydrospiro(4,7-methano-5H-indene-5,2'-oxirane)-3'-carboxylate, Ethyl octahydrospiro[4,7-methanoindene-5,2'-oxirane]-3'-carboxylate, ethyl spiro[oxirane-2,8'-tricyclo[5.2.1.02,6]decane]-3-carboxylate, ethyl spiro[oxirane-3,8'-tricyclo[5.2.1.02,6]decane]-2-carboxylate, Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 4791-69-9 |
|---|---|
| SMILES | CCOC(=O)C1C2(O1)CC3CC2C4C3CCC4 |
| InChIKey | GERTUMCUNLMNHD-UHFFFAOYSA-N |
Product Overview
Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate (CAS 4791-69-9), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: ethyl spiro[oxirane-3,8'-tricyclo[5.2.1.02,6]decane]-2-carboxylate.
Chemical Property Profile of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate
Property Insights of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-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 Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate?
The CAS number of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate is 4791-69-9.
What is the molecular formula of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate?
The molecular formula of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate is C14H20O3.
What is the molecular weight of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate?
The molecular weight of Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate is 236.14 g/mol.
Where can I buy Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate?
You can request a quote for Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl octahydrospiro[4,7-methano-5H-indene-5,2'-oxirane]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.