![2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid structure](/static/products/1005/1005060-87-6.webp)
2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
TL;DR: 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1005060-87-6) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 2-[1-(1,3-benzodioxol-5-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 3-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-[1-(2H-1,3-BENZODIOXOL-5-YL)ETHYL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 1.3429 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 819.78436 |
Chemical Identifiers
| CAS Number | 1005060-87-6 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OCO2)N3CC45C=CC(O4)C(C5C3=O)C(=O)O |
Product Overview
2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1005060-87-6), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: 3-[1-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Property Insights of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
The XLogP value of 1.3429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The CAS number of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1005060-87-6.
What is the molecular formula of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular formula of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C18H17NO6.
What is the molecular weight of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular weight of 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 343.11 g/mol.
Where can I buy 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
You can request a quote for 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-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 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-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.