C.I. Mordant Orange 4, monosodium salt
TL;DR: C.I. Mordant Orange 4, monosodium salt (CAS 6359-96-2) is a chemical compound with molecular formula C16H11ClN5NaO7S and molecular weight 475.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-2-hydroxy-5-nitrobenzenesulfonate
Also Known As: C.I. Mordant Orange 4, monosodium salt, Benzenesulfonic acid, 3-((1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitro-, monosodium salt, Benzenesulfonic acid, 3-(2-(1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-2-hydroxy-5-nitro-, sodium salt (1:1), Benzenesulfonic acid, 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxy-5-nitro-, monosodium salt, Benzenesulfonic acid, 3-[2-[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxy-5-nitro-, sodium salt (1:1)
| Molecular Formula | C16H11ClN5NaO7S |
|---|---|
| Molecular Weight | 475.00 g/mol |
| LogP | -0.2631 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.99655 |
| Heavy Atoms | 31 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 6359-96-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])O)C3=CC(=CC=C3)Cl.[Na+] |
| InChIKey | HDNIIDKHCASDLF-UHFFFAOYSA-M |
Product Overview
C.I. Mordant Orange 4, monosodium salt (CAS 6359-96-2), with molecular formula C16H11ClN5NaO7S and molecular weight 475.00 g/mol. IUPAC: sodium 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-2-hydroxy-5-nitrobenzenesulfonate.
Chemical Property Profile of C.I. Mordant Orange 4, monosodium salt
Property Insights of C.I. Mordant Orange 4, monosodium salt
The XLogP value of -0.2631 indicates that C.I. Mordant Orange 4, monosodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting C.I. Mordant Orange 4, monosodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Mordant Orange 4, monosodium salt 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 C.I. Mordant Orange 4, monosodium salt?
The CAS number of C.I. Mordant Orange 4, monosodium salt is 6359-96-2.
What is the molecular formula of C.I. Mordant Orange 4, monosodium salt?
The molecular formula of C.I. Mordant Orange 4, monosodium salt is C16H11ClN5NaO7S.
What is the molecular weight of C.I. Mordant Orange 4, monosodium salt?
The molecular weight of C.I. Mordant Orange 4, monosodium salt is 475.00 g/mol.
Where can I buy C.I. Mordant Orange 4, monosodium salt?
You can request a quote for C.I. Mordant Orange 4, monosodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Mordant Orange 4, monosodium salt?
Yes, KEHONG BIO provides custom synthesis services for C.I. Mordant Orange 4, monosodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.