1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone
TL;DR: 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone (CAS 312271-56-0) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone
Also Known As: BIM-0021478.P001, 5-acetyl-6-methylthio-2-phenyl-4-pyrrolidinylpyrimidine, 1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone, 1-[4-(methylsulfanyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidin-5-yl]ethanone, 1-[4-(methylthio)-2-phenyl-6-(1-pyrrolidinyl)-5-pyrimidinyl]ethanone
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 312271-56-0 |
|---|---|
| SMILES | CC(=O)C1=C(N=C(N=C1SC)C2=CC=CC=C2)N3CCCC3 |
| InChIKey | XTJRMLAYKWEMFA-UHFFFAOYSA-N |
Product Overview
1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone (CAS 312271-56-0), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 1-(4-methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone.
Chemical Property Profile of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone
Property Insights of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone
The XLogP value of 3.3 indicates that 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone 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 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone?
The CAS number of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone is 312271-56-0.
What is the molecular formula of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone?
The molecular formula of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone is C17H19N3OS.
What is the molecular weight of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone?
The molecular weight of 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone is 313.12 g/mol.
Where can I buy 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone?
You can request a quote for 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylsulfanyl-2-phenyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.