4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate
TL;DR: 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate (CAS 488786-20-5) is a chemical compound with molecular formula C22H27Br2NO4 and molecular weight 527.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] octanoate
Also Known As: BAS 00818189, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate, [4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] octanoate, 4-(5,6-dibromo-1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)phenyl octanoate, Octanoic acid 4-(5,6-dibromo-1,3-dioxo-octahydro-isoindol-2-yl)-phenyl ester
| Molecular Formula | C22H27Br2NO4 |
|---|---|
| Molecular Weight | 527.03 g/mol |
| LogP | 5.3789 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.0307 |
| Heavy Atoms | 29 |
| Complexity | 723.6841 |
Chemical Identifiers
| CAS Number | 488786-20-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3CC(C(CC3C2=O)Br)Br |
Product Overview
4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate (CAS 488786-20-5), with molecular formula C22H27Br2NO4 and molecular weight 527.03 g/mol. IUPAC: [4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] octanoate.
Chemical Property Profile of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate
Property Insights of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate
The XLogP value of 5.3789 indicates that 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate 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 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate. Following Lipinski's Rule of Five, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate?
The CAS number of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate is 488786-20-5.
What is the molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate?
The molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate is C22H27Br2NO4.
What is the molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate?
The molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate is 527.03 g/mol.
Where can I buy 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate?
You can request a quote for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.