Bis(1,3-dibutylbarbiturate)trimethine oxonol
TL;DR: Bis(1,3-dibutylbarbiturate)trimethine oxonol (CAS 110425-49-5) is a chemical compound with molecular formula C27H40N4O6 and molecular weight 516.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibutyl-5-[(E)-3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Also Known As: DiBAC4(3), Dibac4, di-BA-C4, DiBA-C4, bis(1,3-dibutylbarbiturate)trimethine oxonol
| Molecular Formula | C27H40N4O6 |
|---|---|
| Molecular Weight | 516.29 g/mol |
| LogP | 3.8672 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 516.2948 |
| Heavy Atoms | 37 |
| Complexity | 894.543 |
Chemical Identifiers
| CAS Number | 110425-49-5 |
|---|---|
| SMILES | CCCCN1C(=O)C(C(=O)N(C1=O)CCCC)/C=C/C=C2C(=O)N(C(=O)N(C2=O)CCCC)CCCC |
Product Overview
Bis(1,3-dibutylbarbiturate)trimethine oxonol (CAS 110425-49-5), with molecular formula C27H40N4O6 and molecular weight 516.29 g/mol. IUPAC: 1,3-dibutyl-5-[(E)-3-(1,3-dibutyl-2,4,6-trioxo-1,3-diazinan-5-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Bis(1,3-dibutylbarbiturate)trimethine oxonol
Property Insights of Bis(1,3-dibutylbarbiturate)trimethine oxonol
The XLogP value of 3.8672 indicates that Bis(1,3-dibutylbarbiturate)trimethine oxonol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1,3-dibutylbarbiturate)trimethine oxonol. Following Lipinski's Rule of Five, Bis(1,3-dibutylbarbiturate)trimethine oxonol has 0 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 Bis(1,3-dibutylbarbiturate)trimethine oxonol?
The CAS number of Bis(1,3-dibutylbarbiturate)trimethine oxonol is 110425-49-5.
What is the molecular formula of Bis(1,3-dibutylbarbiturate)trimethine oxonol?
The molecular formula of Bis(1,3-dibutylbarbiturate)trimethine oxonol is C27H40N4O6.
What is the molecular weight of Bis(1,3-dibutylbarbiturate)trimethine oxonol?
The molecular weight of Bis(1,3-dibutylbarbiturate)trimethine oxonol is 516.29 g/mol.
Where can I buy Bis(1,3-dibutylbarbiturate)trimethine oxonol?
You can request a quote for Bis(1,3-dibutylbarbiturate)trimethine oxonol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1,3-dibutylbarbiturate)trimethine oxonol?
Yes, KEHONG BIO provides custom synthesis services for Bis(1,3-dibutylbarbiturate)trimethine oxonol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.