Acid Yellow 54 free acid
TL;DR: Acid Yellow 54 free acid (CAS 68957-71-1) is a chemical compound with molecular formula C18H16N4O9S2 and molecular weight 496.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid
Also Known As: 1thz, Acid Yellow 54 free acid, J2.128.289H, 326203-A, 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID
| Molecular Formula | C18H16N4O9S2 |
|---|---|
| Molecular Weight | 496.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.03586 |
| Heavy Atoms | 33 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 68957-71-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)C(=C(N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)O)C(=O)O |
| InChIKey | CKYHLFDDWMUMHB-UHFFFAOYSA-N |
Product Overview
Acid Yellow 54 free acid (CAS 68957-71-1), with molecular formula C18H16N4O9S2 and molecular weight 496.04 g/mol. IUPAC: 2-[[5-methyl-2-(2-methyl-4-sulfophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfobenzoic acid.
Chemical Property Profile of Acid Yellow 54 free acid
Property Insights of Acid Yellow 54 free acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acid Yellow 54 free acid. The TPSA of 220.0 Ų indicates high polarity, suggesting Acid Yellow 54 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Yellow 54 free acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acid Yellow 54 free acid?
The CAS number of Acid Yellow 54 free acid is 68957-71-1.
What is the molecular formula of Acid Yellow 54 free acid?
The molecular formula of Acid Yellow 54 free acid is C18H16N4O9S2.
What is the molecular weight of Acid Yellow 54 free acid?
The molecular weight of Acid Yellow 54 free acid is 496.04 g/mol.
Where can I buy Acid Yellow 54 free acid?
You can request a quote for Acid Yellow 54 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Yellow 54 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Yellow 54 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.