5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 34925-06-9) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-hydroxy-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-acetyl-6-hydroxy-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one, 5-acetyl-6-hydroxy-1-methyl-3-phenyl-2-thioxo-pyrimidin-4-one, 5-acetyl-6-hydroxy-1-methyl-3-phenyl-2-sulfanylidene-4-pyrimidinone, 5-ethanoyl-1-methyl-6-oxidanyl-3-phenyl-2-sulfanylidene-pyrimidin-4-one
| Molecular Formula | C13H12N2O3S |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.05685 |
| Heavy Atoms | 19 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 34925-06-9 |
|---|---|
| SMILES | CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C)O |
| InChIKey | HIZPBQWKFASUNY-UHFFFAOYSA-N |
Product Overview
5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 34925-06-9), with molecular formula C13H12N2O3S and molecular weight 276.06 g/mol. IUPAC: 5-acetyl-6-hydroxy-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 1 hydrogen bond donor(s) and 4 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 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 34925-06-9.
What is the molecular formula of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C13H12N2O3S.
What is the molecular weight of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 276.06 g/mol.
Where can I buy 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-6-hydroxy-3-methyl-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.