2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 1212389-45-1) is a chemical compound with molecular formula C15H14BrNO2 and molecular weight 319.02078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-(4-bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-(4-bromophenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Technical Specifications
| Molecular Formula | C15H14BrNO2 |
| Molecular Weight | 319.02078 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.02078 Da |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br |
| InChIKey | SDXQKRVFILBAIV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-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
What is the CAS number of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 1212389-45-1.
What is the molecular formula of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C15H14BrNO2.
What is the molecular weight of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 319.02078 g/mol.
Where can I buy 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-(4-Bromophenyl)-4-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.