RefChem:505801
TL;DR: RefChem:505801 (CAS 63834-90-2) is a chemical compound with molecular formula C33H23ClN6O and molecular weight 554.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(6-chloro-1,3-diphenylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: 3H-Pyrazol-3-one, 4-((6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)ethylidene)-2,4-dihydro-5-methyl-2-phenyl, 3H-Pyrazol-3-one, 4-((6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)ethylidene)-2,4-dihydro-5-methyl-2-phenyl-, 3H-Pyrazol-3-one, 4-(2-(6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo(4,5-b)quinoxalin-2-ylidene)ethylidene)-2,4-dihydro-5-methyl-2-phenyl-, 3H-Pyrazol-3-one, 4-[(6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-, 4-[(6-chloro-1,3-dihydro-1,3-diphenyl-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
| Molecular Formula | C33H23ClN6O |
|---|---|
| Molecular Weight | 554.16 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 554.1622 |
| Heavy Atoms | 41 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 63834-90-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC=C2N(C3=NC4=C(C=C(C=C4)Cl)N=C3N2C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7 |
| InChIKey | WQQIRVDPRMDMIL-UHFFFAOYSA-N |
Product Overview
RefChem:505801 (CAS 63834-90-2), with molecular formula C33H23ClN6O and molecular weight 554.16 g/mol. IUPAC: 4-[2-(6-chloro-1,3-diphenylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of RefChem:505801
Property Insights of RefChem:505801
The XLogP value of 7.5 indicates that RefChem:505801 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505801. Following Lipinski's Rule of Five, RefChem:505801 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:505801?
The CAS number of RefChem:505801 is 63834-90-2.
What is the molecular formula of RefChem:505801?
The molecular formula of RefChem:505801 is C33H23ClN6O.
What is the molecular weight of RefChem:505801?
The molecular weight of RefChem:505801 is 554.16 g/mol.
Where can I buy RefChem:505801?
You can request a quote for RefChem:505801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505801?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.