Oxonol 805 Blue
TL;DR: Oxonol 805 Blue (CAS 27969-56-8) is a chemical compound with molecular formula C25H22N4O8S2 and molecular weight 570.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-methyl-4-[5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: Oxonol 805 Blue, Benzenesulfonic acid, 4-[4-[5-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]-1,3-pentadienyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4,4'-Pentamethylenebis(1-(p-sulfophenyl)-3-methyl-5-oxopyrazole), 4-(3-methyl-4-{5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]penta-2,4-dien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 4-(3-methyl-4-{5-[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]penta-2,4-dien-1-ylidene}-5-oxopyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C25H22N4O8S2 |
|---|---|
| Molecular Weight | 570.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.0879 |
| Heavy Atoms | 39 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 27969-56-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C=CC=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C4=CC=C(C=C4)S(=O)(=O)O |
| InChIKey | ZYEKPKUEHLUSET-UHFFFAOYSA-N |
Product Overview
Oxonol 805 Blue (CAS 27969-56-8), with molecular formula C25H22N4O8S2 and molecular weight 570.09 g/mol. IUPAC: 4-[3-methyl-4-[5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of Oxonol 805 Blue
Property Insights of Oxonol 805 Blue
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxonol 805 Blue. The TPSA of 191.0 Ų indicates high polarity, suggesting Oxonol 805 Blue may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxonol 805 Blue 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 Oxonol 805 Blue?
The CAS number of Oxonol 805 Blue is 27969-56-8.
What is the molecular formula of Oxonol 805 Blue?
The molecular formula of Oxonol 805 Blue is C25H22N4O8S2.
What is the molecular weight of Oxonol 805 Blue?
The molecular weight of Oxonol 805 Blue is 570.09 g/mol.
Where can I buy Oxonol 805 Blue?
You can request a quote for Oxonol 805 Blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxonol 805 Blue?
Yes, KEHONG BIO provides custom synthesis services for Oxonol 805 Blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.