5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine
TL;DR: 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine (CAS 31408-25-0) is a chemical compound with molecular formula C11H9ClN2S and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
Also Known As: 5-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine, Bionet2_000725, 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine, 7J-592S, 5-(4-chloro-phenyl)-2-methylsulfanyl-pyrimidine
| Molecular Formula | C11H9ClN2S |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 3.5189 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.0175 |
| Heavy Atoms | 15 |
| Complexity | 439.15002 |
Chemical Identifiers
| CAS Number | 31408-25-0 |
|---|---|
| SMILES | CSC1=NC=C(C=N1)C2=CC=C(C=C2)Cl |
Product Overview
5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine (CAS 31408-25-0), with molecular formula C11H9ClN2S and molecular weight 236.02 g/mol. IUPAC: 5-(4-chlorophenyl)-2-methylsulfanylpyrimidine.
Chemical Property Profile of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine
Property Insights of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine
The XLogP value of 3.5189 indicates that 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine 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 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine?
The CAS number of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine is 31408-25-0.
What is the molecular formula of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine?
The molecular formula of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine is C11H9ClN2S.
What is the molecular weight of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine?
The molecular weight of 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine is 236.02 g/mol.
Where can I buy 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine?
You can request a quote for 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-2-(methylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.