Mordant Orange 29
TL;DR: Mordant Orange 29 (CAS 6054-86-0) 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 2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate
Also Known As: Mordant Orange 29, C.I. Mordant Orange 29, C.I. Mordant Orange 29, monosodium salt, SODIUM 3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-2-HYDROXY-5-NITROBENZENESULPHONATE, sodium;2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate
| 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 | 799.0 |
Chemical Identifiers
| CAS Number | 6054-86-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])O)C3=CC=CC=C3.[Na+] |
| InChIKey | YAJDUQNWUWXIBO-UHFFFAOYSA-M |
Product Overview
Mordant Orange 29 (CAS 6054-86-0), with molecular formula C16H12N5NaO7S and molecular weight 441.04 g/mol. IUPAC: sodium 2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate.
Chemical Property Profile of Mordant Orange 29
Property Insights of Mordant Orange 29
The XLogP value of -0.92 indicates that Mordant Orange 29 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Mordant Orange 29 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mordant Orange 29 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 Mordant Orange 29?
The CAS number of Mordant Orange 29 is 6054-86-0.
What is the molecular formula of Mordant Orange 29?
The molecular formula of Mordant Orange 29 is C16H12N5NaO7S.
What is the molecular weight of Mordant Orange 29?
The molecular weight of Mordant Orange 29 is 441.04 g/mol.
Where can I buy Mordant Orange 29?
You can request a quote for Mordant Orange 29 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mordant Orange 29?
Yes, KEHONG BIO provides custom synthesis services for Mordant Orange 29 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.