1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
TL;DR: 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile (CAS 95534-78-4) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
Also Known As: BAS 00323473, BIM-0042629.P001, 1-methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile, 1-methyl-2-(methylsulfanyl)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile, A2340/0098778
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 95534-78-4 |
|---|---|
| SMILES | CN1C(=O)C(=C(N=C1SC)C2=CC=CC=C2)C#N |
| InChIKey | PFPMIKYWOXSUFN-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile (CAS 95534-78-4), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 1-methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
Property Insights of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-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 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
The CAS number of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile is 95534-78-4.
What is the molecular formula of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
The molecular formula of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile is C13H11N3OS.
What is the molecular weight of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
The molecular weight of 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile is 257.06 g/mol.
Where can I buy 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
You can request a quote for 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-methylsulfanyl-6-oxo-4-phenylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.