2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- (CAS 68859-68-7) is a chemical compound with molecular formula C16H9N5O6 and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
Also Known As: PIGMENT YELLOW 139, Isoindolineyellow, PigmentYellow139, C.I. Pigment Yellow 139, YELLOW 2RP-CF
| Molecular Formula | C16H9N5O6 |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.0553 |
| Heavy Atoms | 27 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 68859-68-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C(=O)NC(=O)NC3=O)N=C2C4=C(NC(=O)NC4=O)O |
| InChIKey | VXQNQGCWKZPKET-UHFFFAOYSA-N |
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- (CAS 68859-68-7), with molecular formula C16H9N5O6 and molecular weight 367.06 g/mol. IUPAC: 5-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-
The XLogP value of -0.9 indicates that 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- has 5 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- is 68859-68-7.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- is C16H9N5O6.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- is 367.06 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.