Acid Red 186 free acid
TL;DR: Acid Red 186 free acid (CAS 50335-05-2) is a chemical compound with molecular formula C20H16N4O8S2 and molecular weight 504.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: Acid Red 186 free acid, J2.886.590B, 1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(5-hydroxy-3-methyl-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, 1-Naphthalenesulfonic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-3-hydroxy-, 1-Naphthalenesulfonic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-3-hydroxy-
| Molecular Formula | C20H16N4O8S2 |
|---|---|
| Molecular Weight | 504.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.04095 |
| Heavy Atoms | 34 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 50335-05-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O |
| InChIKey | WXWWCUIMZSEWIP-UHFFFAOYSA-N |
Product Overview
Acid Red 186 free acid (CAS 50335-05-2), with molecular formula C20H16N4O8S2 and molecular weight 504.04 g/mol. IUPAC: 3-hydroxy-4-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid.
Chemical Property Profile of Acid Red 186 free acid
Property Insights of Acid Red 186 free acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acid Red 186 free acid. The TPSA of 203.0 Ų indicates high polarity, suggesting Acid Red 186 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Red 186 free acid has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acid Red 186 free acid?
The CAS number of Acid Red 186 free acid is 50335-05-2.
What is the molecular formula of Acid Red 186 free acid?
The molecular formula of Acid Red 186 free acid is C20H16N4O8S2.
What is the molecular weight of Acid Red 186 free acid?
The molecular weight of Acid Red 186 free acid is 504.04 g/mol.
Where can I buy Acid Red 186 free acid?
You can request a quote for Acid Red 186 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 Red 186 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Red 186 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.