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2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid structure
Fine Chemical

2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

TL;DR: 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1164479-66-6) is a chemical compound with molecular formula C17H22N2O6 and molecular weight 350.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(1-ethoxycarbonylpiperidin-4-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid

Also Known As: 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-(1-ethoxycarbonylpiperidin-4-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(1-ethoxycarbonyl-4-piperidyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-[1-(ETHOXYCARBONYL)PIPERIDIN-4-YL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID

CAS Number
1164479-66-6
Molecular Formula
C17H22N2O6
Molecular Weight
350.1478 g/mol
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Technical Specifications

Molecular FormulaC17H22N2O6
Molecular Weight350.1478 g/mol
XLogP-0.4
Topological Polar Surface Area (TPSA)96.4 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass350.1478 Da
Heavy Atoms25
Complexity641.0
SMILESCCOC(=O)N1CCC(CC1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O
InChIKeyLAQBVXSPDDEIAL-UHFFFAOYSA-N

Chemical Property Profile of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

XLogP
-0.4
TPSA (Topological Polar Surface Area)
96.4
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
25
Complexity
641.0
Exact Mass
350.1478
Monoisotopic Mass
350.1478
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

The XLogP value of -0.4 indicates that 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?

The CAS number of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1164479-66-6.

What is the molecular formula of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?

The molecular formula of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C17H22N2O6.

What is the molecular weight of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?

The molecular weight of 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 350.1478 g/mol.

Where can I buy 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?

You can request a quote for 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?

Yes, CoreyChem provides custom synthesis services for 2-[1-(ethoxycarbonyl)piperidin-4-yl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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