![2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one structure](/static/products/5127/512795-73-2.webp)
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one
TL;DR: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one (CAS 512795-73-2) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one, 1-(3-(((5-benzyl-4,6-dihydroxypyrimidin-2-yl)thio)methyl)-4-methoxyphenyl)ethanone, 1-(3-{[(5-benzyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethanone, 1-(3-{[(5-BENZYL-4,6-DIHYDROXYPYRIMIDIN-2-YL)SULFANYL]METHYL}-4-METHOXYPHENYL)ETHAN-1-ONE
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.5698 |
| Topological Polar Surface Area | 92.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 1048.0164 |
Chemical Identifiers
| CAS Number | 512795-73-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O |
Product Overview
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one (CAS 512795-73-2), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one
Property Insights of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one
The XLogP value of 3.5698 indicates that 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one has 2 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 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one?
The CAS number of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one is 512795-73-2.
What is the molecular formula of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one?
The molecular formula of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one is C21H20N2O4S.
What is the molecular weight of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one?
The molecular weight of 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one is 396.11 g/mol.
Where can I buy 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one?
You can request a quote for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-benzyl-4-hydroxy-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.