Bisoxonol
TL;DR: Bisoxonol (CAS 63560-89-4) is a chemical compound with molecular formula C29H42N4O6 and molecular weight 542.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
Also Known As: Bisoxonol, bis-oxonol, DiBAC4(5), B-436, Bis(1,3-dibutylbarbituric acid)pentamethine oxonol
| Molecular Formula | C29H42N4O6 |
|---|---|
| Molecular Weight | 542.31 g/mol |
| LogP | 4.2026 |
| Topological Polar Surface Area | 121.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 542.3104 |
| Heavy Atoms | 39 |
| Complexity | 1205.3901 |
Chemical Identifiers
| CAS Number | 63560-89-4 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)N(C1=O)CCCC)/C=C/C=C/C=C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC)O |
Product Overview
Bisoxonol (CAS 63560-89-4), with molecular formula C29H42N4O6 and molecular weight 542.31 g/mol. IUPAC: 1,3-dibutyl-5-[(2E,4E)-5-(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Bisoxonol
Property Insights of Bisoxonol
The XLogP value of 4.2026 indicates that Bisoxonol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Bisoxonol. Following Lipinski's Rule of Five, Bisoxonol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisoxonol?
The CAS number of Bisoxonol is 63560-89-4.
What is the molecular formula of Bisoxonol?
The molecular formula of Bisoxonol is C29H42N4O6.
What is the molecular weight of Bisoxonol?
The molecular weight of Bisoxonol is 542.31 g/mol.
Where can I buy Bisoxonol?
You can request a quote for Bisoxonol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisoxonol?
Yes, KEHONG BIO provides custom synthesis services for Bisoxonol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.