RefChem:79751
TL;DR: RefChem:79751 (CAS 65151-66-8) is a chemical compound with molecular formula C30H27N5O5S and molecular weight 569.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one;4-methylbenzenesulfonate
Also Known As: 1H-Imidazo[4,5-b]quinoxalinium, 2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl]-1,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1,3-dimethyl-, 4-methylbenzenesulfonate (1:1), 1H-Imidazo(4,5-b)quinoxalinium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1,3-Dimethyl-2-[2-(2-methyl-5-oxo-3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)ethen-1-yl]-1H-imidazo[4,5-b]quinoxalin-3-ium 4-methylbenzene-1-sulfonate, 1,3-DIMETHYL-2-[2-(2-METHYL-5-OXO-3-PHENYL-2,5-DIHYDRO-1,2-OXAZOL-4-YL)ETHENYL]-1H-IMIDAZO[4,5-B]QUINOXALIN-3-IUM 4-METHYLBENZENE-1-SULFONATE
| Molecular Formula | C30H27N5O5S |
|---|---|
| Molecular Weight | 569.17 g/mol |
| LogP | 3.97 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 569.1733 |
| Heavy Atoms | 41 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 65151-66-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=[N+](C2=NC3=CC=CC=C3N=C21)C)C=CC4=C(N(OC4=O)C)C5=CC=CC=C5 |
| InChIKey | GLRIZEVWEWNAQT-UHFFFAOYSA-M |
Product Overview
RefChem:79751 (CAS 65151-66-8), with molecular formula C30H27N5O5S and molecular weight 569.17 g/mol. IUPAC: 4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:79751
Property Insights of RefChem:79751
The XLogP value of 3.97 indicates that RefChem:79751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79751. Following Lipinski's Rule of Five, RefChem:79751 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79751?
The CAS number of RefChem:79751 is 65151-66-8.
What is the molecular formula of RefChem:79751?
The molecular formula of RefChem:79751 is C30H27N5O5S.
What is the molecular weight of RefChem:79751?
The molecular weight of RefChem:79751 is 569.17 g/mol.
Where can I buy RefChem:79751?
You can request a quote for RefChem:79751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.