Octhilinone
TL;DR: Octhilinone (CAS 15139-76-1) is a chemical compound with molecular formula C22H16N4Na2O9S2 and molecular weight 590.0154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;4-[[5-ethoxycarbonyl-3-oxo-2-(4-sulfonatophenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonate
Also Known As: Octhilinone, ORANGE B, Acid Orange 137, C.I. Acid Orange 137, ORANGE B [MI]
Technical Specifications
| Molecular Formula | C22H16N4Na2O9S2 |
| Molecular Weight | 590.0154 g/mol |
| XLogP | -3.27 |
| Topological Polar Surface Area (TPSA) | 215.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 590.0154 Da |
| Heavy Atoms | 39 |
| Complexity | 1140.0 |
| SMILES | CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])N=NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | CWEKGCILYDRKNV-UHFFFAOYSA-L |
Chemical Property Profile of Octhilinone
Property Insights of Octhilinone
The XLogP value of -3.27 indicates that Octhilinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting Octhilinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octhilinone has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octhilinone?
The CAS number of Octhilinone is 15139-76-1.
What is the molecular formula of Octhilinone?
The molecular formula of Octhilinone is C22H16N4Na2O9S2.
What is the molecular weight of Octhilinone?
The molecular weight of Octhilinone is 590.0154 g/mol.
Where can I buy Octhilinone?
You can request a quote for Octhilinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octhilinone?
Yes, CoreyChem provides custom synthesis services for Octhilinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.