Oxonol 595
TL;DR: Oxonol 595 (CAS 88969-31-7) is a chemical compound with molecular formula C27H35N5O4 and molecular weight 493.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;N,N-diethylethanamine
Also Known As: Oxonol 595, Oxonol595, CG 21-1005 dye, 5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxopyridin-3-ylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;N,N-diethylethanamine, (5Z)-5-[(E)-3-(5-cyano-1-ethyl-2-hydroxy-4-methyl-6-oxo-pyridin-3-yl)prop-2-enylidene]-1-ethyl-4-methyl-2,6-dioxo-pyridine-3-carbonitrile; N,N-diethylethanamine
| Molecular Formula | C27H35N5O4 |
|---|---|
| Molecular Weight | 493.27 g/mol |
| LogP | 3.27038 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.2689 |
| Heavy Atoms | 36 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 88969-31-7 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=CC=C2C(=C(C(=O)N(C2=O)CC)C#N)C)O.CCN(CC)CC |
| InChIKey | DUMMGUQUIPPFSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxonol 595 (CAS 88969-31-7), with molecular formula C27H35N5O4 and molecular weight 493.27 g/mol. IUPAC: 5-[3-(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3-pyridinylidene)prop-1-enyl]-1-ethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile;N,N-diethylethanamine.
Chemical Property Profile of Oxonol 595
Property Insights of Oxonol 595
The XLogP value of 3.27038 indicates that Oxonol 595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxonol 595. Following Lipinski's Rule of Five, Oxonol 595 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxonol 595?
The CAS number of Oxonol 595 is 88969-31-7.
What is the molecular formula of Oxonol 595?
The molecular formula of Oxonol 595 is C27H35N5O4.
What is the molecular weight of Oxonol 595?
The molecular weight of Oxonol 595 is 493.27 g/mol.
Where can I buy Oxonol 595?
You can request a quote for Oxonol 595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxonol 595?
Yes, KEHONG BIO provides custom synthesis services for Oxonol 595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.