RefChem:79749
TL;DR: RefChem:79749 (CAS 65121-84-8) is a chemical compound with molecular formula C39H35N5O4S and molecular weight 669.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(1-methoxy-2-phenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium;4-methylbenzenesulfonate
Also Known As: EINECS 265-466-1, 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(1-methoxy-2-phenyl-1H-indol-3-yl)ethenyl)-1,3-di-2-propen-1-yl-, 4-methylbenzenesulfonate (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(1-methoxy-2-phenyl-1H-indol-3-yl)ethenyl)-1,3-di-2-propenyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1,3-Diallyl-2-(2-(1-methoxy-2-phenyl-1H-indol-3-yl)vinyl)-1H-imidazo(4,5-b)quinoxalinium toluene-p-sulphonate, 1,3-Diallyl-2-[2-(1-methoxy-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulfonate
| Molecular Formula | C39H35N5O4S |
|---|---|
| Molecular Weight | 669.24 g/mol |
| LogP | 6.99362 |
| Topological Polar Surface Area | 105.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 669.24097 |
| Heavy Atoms | 49 |
| Complexity | 2379.1733 |
Chemical Identifiers
| CAS Number | 65121-84-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CON1C2=CC=CC=C2C(=C1C3=CC=CC=C3)/C=C/C4=[N+](C5=NC6=CC=CC=C6N=C5N4CC=C)CC=C |
Product Overview
RefChem:79749 (CAS 65121-84-8), with molecular formula C39H35N5O4S and molecular weight 669.24 g/mol. IUPAC: 2-[(E)-2-(1-methoxy-2-phenylindol-3-yl)ethenyl]-1,3-bis(prop-2-enyl)imidazo[4,5-b]quinoxalin-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:79749
Property Insights of RefChem:79749
The XLogP value of 6.99362 indicates that RefChem:79749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79749. Following Lipinski's Rule of Five, RefChem:79749 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79749?
The CAS number of RefChem:79749 is 65121-84-8.
What is the molecular formula of RefChem:79749?
The molecular formula of RefChem:79749 is C39H35N5O4S.
What is the molecular weight of RefChem:79749?
The molecular weight of RefChem:79749 is 669.24 g/mol.
Where can I buy RefChem:79749?
You can request a quote for RefChem:79749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.