Java Chrome Orange GR
TL;DR: Java Chrome Orange GR (CAS 6359-86-0) is a chemical compound with molecular formula C16H12N5NaO7S and molecular weight 441.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: Java Chrome Orange GR, C.I.Mordant Orange 3, MORDANT ORANGE 3, C.I. Mordant Orange 3, 2-Pyrazolin-5-one, 4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-1-(p-sulfophenyl)-, sodium salt
| Molecular Formula | C16H12N5NaO7S |
|---|---|
| Molecular Weight | 441.04 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.03552 |
| Heavy Atoms | 30 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 6359-86-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+] |
| InChIKey | JXOVBZBVMDRWSE-UHFFFAOYSA-M |
Product Overview
Java Chrome Orange GR (CAS 6359-86-0), with molecular formula C16H12N5NaO7S and molecular weight 441.04 g/mol. IUPAC: sodium 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of Java Chrome Orange GR
Property Insights of Java Chrome Orange GR
The XLogP value of -0.92 indicates that Java Chrome Orange GR is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Java Chrome Orange GR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Java Chrome Orange GR has 1 hydrogen bond donor(s) and 10 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 Java Chrome Orange GR?
The CAS number of Java Chrome Orange GR is 6359-86-0.
What is the molecular formula of Java Chrome Orange GR?
The molecular formula of Java Chrome Orange GR is C16H12N5NaO7S.
What is the molecular weight of Java Chrome Orange GR?
The molecular weight of Java Chrome Orange GR is 441.04 g/mol.
Where can I buy Java Chrome Orange GR?
You can request a quote for Java Chrome Orange GR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Java Chrome Orange GR?
Yes, KEHONG BIO provides custom synthesis services for Java Chrome Orange GR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.