(3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
TL;DR: (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione (CAS 1005035-52-8) is a chemical compound with molecular formula C31H26BrNO3 and molecular weight 539.1096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-bromophenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Also Known As: (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione, 2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Technical Specifications
| Molecular Formula | C31H26BrNO3 |
| Molecular Weight | 539.1096 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.1096 Da |
| Heavy Atoms | 36 |
| Complexity | 912.0 |
| SMILES | CCC12C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Br)C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC |
| InChIKey | QUOFPDGSFBKQJG-UHFFFAOYSA-N |
Chemical Property Profile of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Property Insights of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
The XLogP value of 5.3 indicates that (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione?
The CAS number of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione is 1005035-52-8.
What is the molecular formula of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione?
The molecular formula of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione is C31H26BrNO3.
What is the molecular weight of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione?
The molecular weight of (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione is 539.1096 g/mol.
Where can I buy (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione?
You can request a quote for (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione?
Yes, CoreyChem provides custom synthesis services for (3aR,4S,7S,7aS)-2-(3-bromophenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.