4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile
TL;DR: 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile (CAS 128666-82-0) is a chemical compound with molecular formula C13H10ClN3OS and molecular weight 291.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile, 4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile, 6-Chloro-5-cyano-4-(3-methoxyphenyl)-2-methylthio-pyrimidine, 6-chloro-5-cyano4-(3-methoxyphenyl)-2-methylthio-pyrimidine, 4-chloro-6-(3-methoxyphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
| Molecular Formula | C13H10ClN3OS |
|---|---|
| Molecular Weight | 291.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.02332 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 128666-82-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=C(C(=NC(=N2)SC)Cl)C#N |
| InChIKey | NUVVEHIZUGPZHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile (CAS 128666-82-0), with molecular formula C13H10ClN3OS and molecular weight 291.02 g/mol. IUPAC: 4-chloro-6-(3-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile
Property Insights of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile
The XLogP value of 3.4 indicates that 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 5 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-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile is 128666-82-0.
What is the molecular formula of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile is C13H10ClN3OS.
What is the molecular weight of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile is 291.02 g/mol.
Where can I buy 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)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-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-(3-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.