RefChem:79752
TL;DR: RefChem:79752 (CAS 23427-51-2) is a chemical compound with molecular formula C28H27IN6 and molecular weight 574.1342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium iodide
Also Known As: 1,3-diallyl-2-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium iodide, 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-di-2-propen-1-yl-, iodide (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethenyl)-1,3-di-2-propenyl-, iodide, 1,3-Diallyl-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)-1H-imidazo(4,5-b)quinoxalinium iodide, 1H-Imidazo[4,5-b]quinoxalinium, 2-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethenyl]-1,3-di-2-propen-1-yl-, iodide (1:1)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H27IN6 |
| Molecular Weight | 574.1342 g/mol |
| XLogP | 2.22 |
| Topological Polar Surface Area (TPSA) | 52.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.1342 Da |
| Heavy Atoms | 35 |
| Complexity | 698.0 |
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC3=[N+](C4=NC5=CC=CC=C5N=C4N3CC=C)CC=C.[I-] |
| InChIKey | KXQLQPIEPLLABL-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:79752
Property Insights of RefChem:79752
The XLogP value of 2.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79752. With a topological polar surface area (TPSA) of 52.4 Ų, RefChem:79752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79752 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:79752?
The CAS number of RefChem:79752 is 23427-51-2.
What is the molecular formula of RefChem:79752?
The molecular formula of RefChem:79752 is C28H27IN6.
What is the molecular weight of RefChem:79752?
The molecular weight of RefChem:79752 is 574.1342 g/mol.
Where can I buy RefChem:79752?
You can request a quote for RefChem:79752 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:79752?
Yes, CoreyChem provides custom synthesis services for RefChem:79752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.