RefChem:79754
TL;DR: RefChem:79754 (CAS 63149-40-6) is a chemical compound with molecular formula C40H33ClN8O3S and molecular weight 740.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-[(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)methyl]-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline;4-methylbenzenesulfonate
Also Known As: 1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-((1,3-dihydro-1,3-dimethyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)methyl)-1,3-diphenyl-, 4-methylbenzenesulfonate (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 6-chloro-2-((1,3-dihydro-1,3-dimethyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)methyl)-1,3-diphenyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1H-Imidazo[4,5-b]quinoxalinium, 6-chloro-2-[(1,3-dihydro-1,3-dimethyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)methyl]-1,3-diphenyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1H-Imidazo[4,5-b]quinoxalinium, 6-chloro-2-[(1,3-dihydro-1,3-dimethyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)methyl]-1,3-diphenyl-, 4-methylbenzenesulfonate (1:1), 2-[(6-Chloro-1,3-diphenyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxalin-2-yl)methyl]-1,3-dimethyl-1H-imidazo[4,5-b]quinoxalin-3-ium 4-methylbenzene-1-sulfonate
| Molecular Formula | C40H33ClN8O3S |
|---|---|
| Molecular Weight | 740.21 g/mol |
| LogP | 7.30032 |
| Topological Polar Surface Area | 124.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 740.2085 |
| Heavy Atoms | 53 |
| Complexity | 2688.0518 |
Chemical Identifiers
| CAS Number | 63149-40-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=[N+](C2=NC3=CC=CC=C3N=C21)C)CC4N(C5=NC6=C(C=C(C=C6)Cl)N=C5N4C7=CC=CC=C7)C8=CC=CC=C8 |
Product Overview
RefChem:79754 (CAS 63149-40-6), with molecular formula C40H33ClN8O3S and molecular weight 740.21 g/mol. IUPAC: 6-chloro-2-[(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)methyl]-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:79754
Property Insights of RefChem:79754
The XLogP value of 7.30032 indicates that RefChem:79754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79754. Following Lipinski's Rule of Five, RefChem:79754 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79754?
The CAS number of RefChem:79754 is 63149-40-6.
What is the molecular formula of RefChem:79754?
The molecular formula of RefChem:79754 is C40H33ClN8O3S.
What is the molecular weight of RefChem:79754?
The molecular weight of RefChem:79754 is 740.21 g/mol.
Where can I buy RefChem:79754?
You can request a quote for RefChem:79754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79754?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.