2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
TL;DR: 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone (CAS 459153-22-1) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
Also Known As: AO-081/40801159, 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone, 4-phenyl-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone, (3aR,4R,7R,7aS)-2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,6H)-tetraone
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 0.9702 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 640.7772 |
Chemical Identifiers
| CAS Number | 459153-22-1 |
|---|---|
| SMILES | C1C2C3C(C(C1=O)CC2=O)C(=O)N(C3=O)C4=CC=CC=C4 |
Product Overview
2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone (CAS 459153-22-1), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: 4-phenyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone.
Chemical Property Profile of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
Property Insights of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
The XLogP value of 0.9702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone. Following Lipinski's Rule of Five, 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone has 0 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 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The CAS number of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is 459153-22-1.
What is the molecular formula of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The molecular formula of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is C16H13NO4.
What is the molecular weight of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The molecular weight of 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is 283.08 g/mol.
Where can I buy 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
You can request a quote for 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyltetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.