2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid
TL;DR: 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid (CAS 1491148-16-3) is a chemical compound with molecular formula C12H17N3O6S and molecular weight 331.0838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-4-methylsulfinylbutanoic acid
Also Known As: 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid, 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-4-methylsulfinyl-butanoic Acid, 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]-4-methylsulfinylbutanoic acid, 2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid
Technical Specifications
| Molecular Formula | C12H17N3O6S |
| Molecular Weight | 331.0838 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0838 Da |
| Heavy Atoms | 22 |
| Complexity | 585.0 |
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=NC(CCS(=O)C)C(=O)O)O |
| InChIKey | AWQABGDJQNKDFL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid
Property Insights of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid
The XLogP value of -1.7 indicates that 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid?
The CAS number of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid is 1491148-16-3.
What is the molecular formula of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid?
The molecular formula of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid is C12H17N3O6S.
What is the molecular weight of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid?
The molecular weight of 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid is 331.0838 g/mol.
Where can I buy 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid?
You can request a quote for 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)-4-(methylsulfinyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.