4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione
TL;DR: 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione (CAS 294667-05-3) is a chemical compound with molecular formula C16H5Br4NO2 and molecular weight 558.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione
Also Known As: BAS 00188315, BIM-0013323.P001, 4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione, A0968/0045228, 4,5,6,7-Tetrabromo-2-(3-ethynyl-phenyl)-isoindole-1,3-dione
| Molecular Formula | C16H5Br4NO2 |
|---|---|
| Molecular Weight | 558.71 g/mol |
| LogP | 5.5185 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 558.7054 |
| Heavy Atoms | 23 |
| Complexity | 883.6531 |
Chemical Identifiers
| CAS Number | 294667-05-3 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br |
Product Overview
4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione (CAS 294667-05-3), with molecular formula C16H5Br4NO2 and molecular weight 558.71 g/mol. IUPAC: 4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione.
Chemical Property Profile of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione
Property Insights of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione
The XLogP value of 5.5185 indicates that 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione?
The CAS number of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione is 294667-05-3.
What is the molecular formula of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione?
The molecular formula of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione is C16H5Br4NO2.
What is the molecular weight of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione?
The molecular weight of 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione is 558.71 g/mol.
Where can I buy 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione?
You can request a quote for 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.