1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
TL;DR: 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1024331-74-5) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-azabicyclo[2.2.2]octan-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 2-(1-azabicyclo[2.2.2]oct-3-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | -0.0528 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 582.6949 |
Chemical Identifiers
| CAS Number | 1024331-74-5 |
|---|---|
| SMILES | C1CN2CCC1C(C2)N3CC45C=CC(O4)C(C5C3=O)C(=O)O |
Product Overview
1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1024331-74-5), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Property Insights of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
The XLogP value of -0.0528 indicates that 1-oxo-2-(quinuclidin-3-yl)-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 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid has 1 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 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The CAS number of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1024331-74-5.
What is the molecular formula of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular formula of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C16H20N2O4.
What is the molecular weight of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular weight of 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 304.14 g/mol.
Where can I buy 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
You can request a quote for 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-oxo-2-(quinuclidin-3-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-2-(quinuclidin-3-yl)-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.