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 470.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C18H19Br2NO4 |
|---|---|
| Molecular Weight | 470.97 g/mol |
| LogP | 3.6798 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.96808 |
| Heavy Atoms | 25 |
| Complexity | 662.8214 |
Chemical Identifiers
| CAS Number | 1005090-40-3 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC(C(CC3C2=O)Br)Br |
Product Overview
propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 1005090-40-3), with molecular formula C18H19Br2NO4 and molecular weight 470.97 g/mol. IUPAC: propyl 4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate.
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 3.6798 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 63.68 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
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 470.97 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO 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.