2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 130076-29-8) is a chemical compound with molecular formula C15H15NO2 and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, ChemDiv3_012797, 2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, benzylaatetrahydroisoindoledione, 2-benzyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
| Molecular Formula | C15H15NO2 |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.11028 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 130076-29-8 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)CC3=CC=CC=C3 |
| InChIKey | KQVNCFJZEZPYOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 130076-29-8), with molecular formula C15H15NO2 and molecular weight 241.11 g/mol. IUPAC: 2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 2 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-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 130076-29-8.
What is the molecular formula of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C15H15NO2.
What is the molecular weight of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 241.11 g/mol.
Where can I buy 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-benzyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.