1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
TL;DR: 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1005151-01-8) is a chemical compound with molecular formula C21H17NO5 and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 4-oxo-3-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, (6R,7S,7aR)-1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 4-OXO-3-(4-PHENOXYPHENYL)-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID, 1,2,3,6,7,7a-Hexahydro-1-oxo-2-(4-phenoxyphenyl)-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
| Molecular Formula | C21H17NO5 |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 2.8499 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1107 |
| Heavy Atoms | 27 |
| Complexity | 938.80414 |
Chemical Identifiers
| CAS Number | 1005151-01-8 |
|---|---|
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O |
Product Overview
1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1005151-01-8), with molecular formula C21H17NO5 and molecular weight 363.11 g/mol. IUPAC: 4-oxo-3-(4-phenoxyphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid.
Chemical Property Profile of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Property Insights of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
The XLogP value of 2.8499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 1-oxo-2-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The CAS number of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1005151-01-8.
What is the molecular formula of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular formula of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C21H17NO5.
What is the molecular weight of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
The molecular weight of 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 363.11 g/mol.
Where can I buy 1-oxo-2-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
You can request a quote for 1-oxo-2-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-2-(4-phenoxyphenyl)-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.