2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
TL;DR: 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone (CAS 459153-03-8) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylphenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
Also Known As: 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone, (3aR,4R,7R,7aS)-2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,6H)-tetraone
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 1.58704 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 720.9763 |
Chemical Identifiers
| CAS Number | 459153-03-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)CC4=O)C |
Product Overview
2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone (CAS 459153-03-8), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 4-(3,5-dimethylphenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone.
Chemical Property Profile of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
Property Insights of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
The XLogP value of 1.58704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethylphenyl)tetrahydro-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-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone. Following Lipinski's Rule of Five, 2-(3,5-dimethylphenyl)tetrahydro-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-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The CAS number of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is 459153-03-8.
What is the molecular formula of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The molecular formula of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is C18H17NO4.
What is the molecular weight of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The molecular weight of 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is 311.12 g/mol.
Where can I buy 2-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
You can request a quote for 2-(3,5-dimethylphenyl)tetrahydro-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-(3,5-dimethylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethylphenyl)tetrahydro-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.