5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol
TL;DR: 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol (CAS 331978-39-3) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: BAS 00726099, 5-benzyl-2-(methylthio)pyrimidine-4,6-diol, 5-benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol, 5-benzyl-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one, 5-benzyl-6-hydroxy-2-(methylthio)-4(3H)-pyrimidinone
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 331978-39-3 |
|---|---|
| SMILES | CSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O |
| InChIKey | ZBSZIRBJORCNGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol (CAS 331978-39-3), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 5-benzyl-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol
Property Insights of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol has 2 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-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol?
The CAS number of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol is 331978-39-3.
What is the molecular formula of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol?
The molecular formula of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol is C12H12N2O2S.
What is the molecular weight of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol?
The molecular weight of 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol is 248.06 g/mol.
Where can I buy 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol?
You can request a quote for 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-2-(methylsulfanyl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.