4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-
TL;DR: 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- (CAS 80306-55-4) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-, 3-(2-Methylphenyl)-2-(methylthio)-4(3H)-pyrimidinone, 3-(2-methylphenyl)-2-methylsulfanylpyrimidin-4-one, 3-(2-Methylphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one, RefChem:1069100
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 80306-55-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C=CN=C2SC |
| InChIKey | YGZIRFYZUCMQEH-UHFFFAOYSA-N |
Product Overview
4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- (CAS 80306-55-4), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 3-(2-methylphenyl)-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-
Property Insights of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-. With a topological polar surface area (TPSA) of 58.0 Ų, 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- has 0 hydrogen bond donor(s) and 3 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 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-?
The CAS number of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- is 80306-55-4.
What is the molecular formula of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-?
The molecular formula of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- is C12H12N2OS.
What is the molecular weight of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-?
The molecular weight of 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- is 232.07 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-?
You can request a quote for 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 3-(2-methylphenyl)-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.