(4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol
TL;DR: (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol (CAS 105640-58-2) is a chemical compound with molecular formula C12H12ClN3OS and molecular weight 281.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-chloroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
Also Known As: (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol, [4-(4-chloroanilino)-2-methylsulfanylpyrimidin-5-yl]methanol, 5-Pyrimidinemethanol, 4-[(4-chlorophenyl)amino]-2-(methylthio)-
Technical Specifications
| Molecular Formula | C12H12ClN3OS |
| Molecular Weight | 281.03897 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.03897 Da |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
| SMILES | CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)Cl)CO |
| InChIKey | AWPJKNQLTOQQPW-UHFFFAOYSA-N |
Chemical Property Profile of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol
Property Insights of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol
The XLogP value of 3.2 indicates that (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol. Following Lipinski's Rule of Five, (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol?
The CAS number of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol is 105640-58-2.
What is the molecular formula of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol?
The molecular formula of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol is C12H12ClN3OS.
What is the molecular weight of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol?
The molecular weight of (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol is 281.03897 g/mol.
Where can I buy (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol?
You can request a quote for (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol?
Yes, CoreyChem provides custom synthesis services for (4-((4-Chlorophenyl)amino)-2-(methylthio)pyrimidin-5-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.