RefChem:576171
TL;DR: RefChem:576171 (CAS 6408-34-0) is a chemical compound with molecular formula C15H8ClCrN3NaO7S and molecular weight 483.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;5-chloro-2-oxido-3-[(4-oxido-2-oxo-1H-quinolin-3-yl)diazenyl]benzenesulfonate;chromium(3+);hydroxide
Also Known As: C.I. Acid Red 179, Chromate(1-), (5-chloro-2-(hydroxy-kappaO)-3-((1,2,3,4-tetrahydro-2-oxo-4-(oxo-kappaO)-3-quinolinyl)azo-kappaN1)benzenesulfonato(3-))hydroxy-, sodium, (T-4)-, Chromate(1-), (5-chloro-2-(hydroxy-kappaO)-3-(2-(1,2,3,4-tetrahydro-2-oxo-4-(oxo-kappaO)-3-quinolinyl)diazenyl-kappaN1)benzenesulfonato(3-))hydroxy-, sodium (1:1), (T-4)-, Chromate(1-), [5-chloro-2-(hydroxy-.kappa.O)-3-[(1,2,3,4-tetrahydro-2-oxo-4-(oxo-.kappa.O)-3-quinolinyl)azo-.kappa.N1]benzenesulfonato(3-)]hydroxy-, sodium, (T-4)-, Sodium (5-chloro-2-hydroxy-3-((1,2,3,4-tetrahydro-2,4-dioxoquinolin-3-yl)azo)benzene-1-sulphonato(3-))hydroxychromate(1-)
| Molecular Formula | C15H8ClCrN3NaO7S |
|---|---|
| Molecular Weight | 483.91 g/mol |
| LogP | -1.5271 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 483.9074 |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 6408-34-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)N2)N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)[O-])[O-])[O-].[OH-].[Na+].[Cr+3] |
| InChIKey | PDJATEKQRVFSIE-UHFFFAOYSA-J |
Product Overview
RefChem:576171 (CAS 6408-34-0), with molecular formula C15H8ClCrN3NaO7S and molecular weight 483.91 g/mol. IUPAC: sodium;5-chloro-2-oxido-3-[(4-oxido-2-oxo-1H-quinolin-3-yl)diazenyl]benzenesulfonate;chromium(3+);hydroxide.
Chemical Property Profile of RefChem:576171
Property Insights of RefChem:576171
The XLogP value of -1.5271 indicates that RefChem:576171 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:576171 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576171 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:576171?
The CAS number of RefChem:576171 is 6408-34-0.
What is the molecular formula of RefChem:576171?
The molecular formula of RefChem:576171 is C15H8ClCrN3NaO7S.
What is the molecular weight of RefChem:576171?
The molecular weight of RefChem:576171 is 483.91 g/mol.
Where can I buy RefChem:576171?
You can request a quote for RefChem:576171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576171?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.