4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
TL;DR: 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 128640-74-4) is a chemical compound with molecular formula C13H10ClN3S and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-Chloro-5-cyano-2-methylthio-6-(p-tolyl)pyrimidine, 4-Chloro-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile, 4-chloro-6-(4-methylphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile, 4-chloro-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile, 4-CHLORO-6-(4-METHYLPHENYL)-2-(METHYLTHIO)PYRIMIDINE-5-CARBONITRILE
| Molecular Formula | C13H10ClN3S |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 3.699 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.02838 |
| Heavy Atoms | 18 |
| Complexity | 617.36884 |
Chemical Identifiers
| CAS Number | 128640-74-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)Cl)C#N |
Product Overview
4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile (CAS 128640-74-4), with molecular formula C13H10ClN3S and molecular weight 275.03 g/mol. IUPAC: 4-chloro-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Property Insights of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
The XLogP value of 3.699 indicates that 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile has 0 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 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile is 128640-74-4.
What is the molecular formula of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile is C13H10ClN3S.
What is the molecular weight of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile is 275.03 g/mol.
Where can I buy 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.