propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
TL;DR: propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 1005090-40-3) is a chemical compound with molecular formula C18H19Br2NO4 and molecular weight 470.96808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
Also Known As: propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate, propyl 4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate, propyl 4-(5,6-dibromo-1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)benzoate
Technical Specifications
| Molecular Formula | C18H19Br2NO4 |
| Molecular Weight | 470.96808 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.96808 Da |
| Heavy Atoms | 25 |
| Complexity | 519.0 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC(C(CC3C2=O)Br)Br |
| InChIKey | FEUHBYAIDMTQBZ-UHFFFAOYSA-N |
Chemical Property Profile of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Property Insights of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 3.7 indicates that propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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
What is the CAS number of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The CAS number of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 1005090-40-3.
What is the molecular formula of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is C18H19Br2NO4.
What is the molecular weight of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 470.96808 g/mol.
Where can I buy propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.