4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate
TL;DR: 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate (CAS 488786-11-4) is a chemical compound with molecular formula C22H25Br2NO4 and molecular weight 525.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] heptanoate
Also Known As: BAS 00818109, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate, 4-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl heptanoate, [4-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] heptanoate, 4-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)phenyl heptanoate
| Molecular Formula | C22H25Br2NO4 |
|---|---|
| Molecular Weight | 525.01 g/mol |
| LogP | 4.8447 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.015 |
| Heavy Atoms | 29 |
| Complexity | 779.5352 |
Chemical Identifiers
| CAS Number | 488786-11-4 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br |
Product Overview
4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate (CAS 488786-11-4), with molecular formula C22H25Br2NO4 and molecular weight 525.01 g/mol. IUPAC: [4-(8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] heptanoate.
Chemical Property Profile of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate
Property Insights of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate
The XLogP value of 4.8447 indicates that 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate 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-4,7-methanoisoindol-2-yl)phenyl heptanoate. Following Lipinski's Rule of Five, 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate 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-4,7-methanoisoindol-2-yl)phenyl heptanoate?
The CAS number of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate is 488786-11-4.
What is the molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate?
The molecular formula of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate is C22H25Br2NO4.
What is the molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate?
The molecular weight of 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate is 525.01 g/mol.
Where can I buy 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate?
You can request a quote for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate 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-4,7-methanoisoindol-2-yl)phenyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.