![2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid structure](/static/products/1212/1212238-85-1.webp)
2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
TL;DR: 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1212238-85-1) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-({6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL}METHYL)-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.16272 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.16272 Da |
| Heavy Atoms | 24 |
| Complexity | 708.0 |
| SMILES | CC1(C2CC=C(C1C2)CN3CC45C=CC(O4)C(C5C3=O)C(=O)O)C |
| InChIKey | KFWIQRFOCDYDRG-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Property Insights of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-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
What is the CAS number of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The CAS number of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1212238-85-1.
What is the molecular formula of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular formula of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C19H23NO4.
What is the molecular weight of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular weight of 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 329.16272 g/mol.
Where can I buy 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
You can request a quote for 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-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-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-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.