2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
TL;DR: 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione (CAS 22931-53-9) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
Also Known As: 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione, 2-Benzyltetrahydro-1H-isoindole-1,3,5(2H,6H)-trione, 2-benzyl-octahydro-1H-isoindole-1,3,5-trione, 2-Benzyl-tetrahydro-isoindole-1,3,5-trione, 2-benzyl-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 1.5408 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 537.5815 |
Chemical Identifiers
| CAS Number | 22931-53-9 |
|---|---|
| SMILES | C1CC(=O)CC2C1C(=O)N(C2=O)CC3=CC=CC=C3 |
Product Overview
2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione (CAS 22931-53-9), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 2-benzyl-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione.
Chemical Property Profile of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
Property Insights of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione
The XLogP value of 1.5408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione. With a topological polar surface area (TPSA) of 54.45 Ų, 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione has 0 hydrogen bond donor(s) and 3 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-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione?
The CAS number of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione is 22931-53-9.
What is the molecular formula of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione?
The molecular formula of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione is C15H15NO3.
What is the molecular weight of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione?
The molecular weight of 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione is 257.11 g/mol.
Where can I buy 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione?
You can request a quote for 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyltetrahydro-1H-isoindole-1,3,5(2H,4H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.