RefChem:438220
TL;DR: RefChem:438220 (CAS 29329-88-2) is a chemical compound with molecular formula C37H36N5O3S- and molecular weight 630.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]-2H-imidazo[4,5-b]quinoxaline;4-methylbenzenesulfonate
Also Known As: EINECS 249-561-5, 1H-Imidazo(4,5-b)quinoxalinium, 1,3-diethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl)-, 4-methylbenzenesulfonate (1:1), 1,3-Diethyl-2-(2-(1-methyl-2-phenyl-3-indolyl)vinyl)imidazo(4,5-b)quinoxolinium 4-methylbenzenesulfonate, 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]-2H-imidazo[4,5-b]quinoxaline;4-methylbenzenesulfonate, 1H-Imidazo(4,5-b)quinoxalinium, 1,3-diethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
| Molecular Formula | C37H36N5O3S- |
|---|---|
| Molecular Weight | 630.25 g/mol |
| LogP | 7.39332 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 630.2539 |
| Heavy Atoms | 46 |
| Complexity | 2091.559 |
Chemical Identifiers
| CAS Number | 29329-88-2 |
|---|---|
| SMILES | CCN1C(N(C2=NC3=CC=CC=C3N=C21)CC)/C=C/C4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:438220 (CAS 29329-88-2), with molecular formula C37H36N5O3S- and molecular weight 630.25 g/mol. IUPAC: 1,3-diethyl-2-[(E)-2-(1-methyl-2-phenylindol-3-yl)ethenyl]-2H-imidazo[4,5-b]quinoxaline;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:438220
Property Insights of RefChem:438220
The XLogP value of 7.39332 indicates that RefChem:438220 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:438220. Following Lipinski's Rule of Five, RefChem:438220 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:438220?
The CAS number of RefChem:438220 is 29329-88-2.
What is the molecular formula of RefChem:438220?
The molecular formula of RefChem:438220 is C37H36N5O3S-.
What is the molecular weight of RefChem:438220?
The molecular weight of RefChem:438220 is 630.25 g/mol.
Where can I buy RefChem:438220?
You can request a quote for RefChem:438220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438220?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.