Acid Yellow 76 free acid
TL;DR: Acid Yellow 76 free acid (CAS 26455-70-9) is a chemical compound with molecular formula C23H20N4O7S2 and molecular weight 528.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
Also Known As: Acid Yellow 76 free acid, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, p-(4-((p-hydroxyphenyl)azo)-3-methyl-5-oxo-2-pyrazolin-1-yl)-, p-toluenesulfonate (ester), 4-[(4Z)-3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]hydrazinylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C23H20N4O7S2 |
|---|---|
| Molecular Weight | 528.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.07733 |
| Heavy Atoms | 36 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 26455-70-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C |
| InChIKey | UBQRJILBZSHWRL-UHFFFAOYSA-N |
Product Overview
Acid Yellow 76 free acid (CAS 26455-70-9), with molecular formula C23H20N4O7S2 and molecular weight 528.08 g/mol. IUPAC: 4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid.
Chemical Property Profile of Acid Yellow 76 free acid
Property Insights of Acid Yellow 76 free acid
The XLogP value of 4.0 indicates that Acid Yellow 76 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting Acid Yellow 76 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Yellow 76 free acid has 2 hydrogen bond donor(s) and 10 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 76 free acid?
The CAS number of Acid Yellow 76 free acid is 26455-70-9.
What is the molecular formula of Acid Yellow 76 free acid?
The molecular formula of Acid Yellow 76 free acid is C23H20N4O7S2.
What is the molecular weight of Acid Yellow 76 free acid?
The molecular weight of Acid Yellow 76 free acid is 528.08 g/mol.
Where can I buy Acid Yellow 76 free acid?
You can request a quote for Acid Yellow 76 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 76 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Yellow 76 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.