RefChem:576227
TL;DR: RefChem:576227 (CAS 91844-25-6) is a chemical compound with molecular formula C16H12ClCrN4O6S and molecular weight 474.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate;chromium(3+);hydron;hydroxide
Also Known As: Chromate(1-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))hydroxy-, hydrogen, chromium(3+) hydrogen hydroxide 5-chloro-3-[(e)-(3-methyl-5-oxido-1-phenyl-1h-pyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate(1:1:1:1), 5-chloro-3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate; chromium(3+); hydron; hydroxide, Chromate(1-), (5-chloro-3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))hydroxy-, hydrogen, Chromate(1-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))hydroxy-, hydrogen (1:1)
| Molecular Formula | C16H12ClCrN4O6S |
|---|---|
| Molecular Weight | 474.96 g/mol |
| LogP | 2.23402 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.95712 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 91844-25-6 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[OH-].[Cr+3] |
| InChIKey | BEBLEKFOBGGMPT-UHFFFAOYSA-K |
Product Overview
RefChem:576227 (CAS 91844-25-6), with molecular formula C16H12ClCrN4O6S and molecular weight 474.96 g/mol. IUPAC: 5-chloro-3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate;chromium(3+);hydron;hydroxide.
Chemical Property Profile of RefChem:576227
Property Insights of RefChem:576227
The XLogP value of 2.23402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576227. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:576227 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576227 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576227?
The CAS number of RefChem:576227 is 91844-25-6.
What is the molecular formula of RefChem:576227?
The molecular formula of RefChem:576227 is C16H12ClCrN4O6S.
What is the molecular weight of RefChem:576227?
The molecular weight of RefChem:576227 is 474.96 g/mol.
Where can I buy RefChem:576227?
You can request a quote for RefChem:576227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576227?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.