Pentamethinedibarbituric acid
TL;DR: Pentamethinedibarbituric acid (CAS 26134-70-3) is a chemical compound with molecular formula C13H10N4O6 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2E,4E)-5-(2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
Also Known As: Pentamethinedibarbituric acid, 4-26-00-02701 (Beilstein Handbook Reference), 5,5'-(1,3-Pentadien-1-yl-5-ylidene)dibarbituric acid, Barbituric acid, 5,5'-(1,3-pentadien-1-yl-5-ylidene)di-, 5,5 -(1,3-Pentadien-1-yl-5-ylidene)dibarbituric acid
| Molecular Formula | C13H10N4O6 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | -1.6266 |
| Topological Polar Surface Area | 150.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.06003 |
| Heavy Atoms | 23 |
| Complexity | 675.9764 |
Chemical Identifiers
| CAS Number | 26134-70-3 |
|---|---|
| SMILES | C(=C/C=C1C(=O)NC(=O)NC1=O)\C=C\C2C(=O)NC(=O)NC2=O |
Product Overview
Pentamethinedibarbituric acid (CAS 26134-70-3), with molecular formula C13H10N4O6 and molecular weight 318.06 g/mol. IUPAC: 5-[(2E,4E)-5-(2,4,6-trioxo-1,3-diazinan-5-yl)penta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Pentamethinedibarbituric acid
Property Insights of Pentamethinedibarbituric acid
The XLogP value of -1.6266 indicates that Pentamethinedibarbituric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.54 Ų indicates high polarity, suggesting Pentamethinedibarbituric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentamethinedibarbituric acid has 4 hydrogen bond donor(s) and 6 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 Pentamethinedibarbituric acid?
The CAS number of Pentamethinedibarbituric acid is 26134-70-3.
What is the molecular formula of Pentamethinedibarbituric acid?
The molecular formula of Pentamethinedibarbituric acid is C13H10N4O6.
What is the molecular weight of Pentamethinedibarbituric acid?
The molecular weight of Pentamethinedibarbituric acid is 318.06 g/mol.
Where can I buy Pentamethinedibarbituric acid?
You can request a quote for Pentamethinedibarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethinedibarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for Pentamethinedibarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.