ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
TL;DR: ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 352644-08-7) is a chemical compound with molecular formula C17H9Br4NO4 and molecular weight 606.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: AE-848/32048023, ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate, ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)benzoate, ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)benzoate
| Molecular Formula | C17H9Br4NO4 |
|---|---|
| Molecular Weight | 606.73 g/mol |
| LogP | 5.7139 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 606.7265 |
| Heavy Atoms | 26 |
| Complexity | 909.47064 |
Chemical Identifiers
| CAS Number | 352644-08-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br |
Product Overview
ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 352644-08-7), with molecular formula C17H9Br4NO4 and molecular weight 606.73 g/mol. IUPAC: ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Property Insights of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
The XLogP value of 5.7139 indicates that ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-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 ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate 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 ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The CAS number of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 352644-08-7.
What is the molecular formula of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular formula of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is C17H9Br4NO4.
What is the molecular weight of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular weight of ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 606.73 g/mol.
Where can I buy ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
You can request a quote for ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-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 ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4,5,6,7-tetrabromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.