2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
TL;DR: 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CAS 301331-06-6) 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.
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_000502, IDI1_008721, 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone, 2-(4-methyl-6-phenylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one, 2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 301331-06-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)N2CCCC2)C3=CC=CC=C3 |
| InChIKey | WTJDOQBGZPUOQE-UHFFFAOYSA-N |
Product Overview
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CAS 301331-06-6), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
Property Insights of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
The XLogP value of 3.1 indicates that 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone 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 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone. Following Lipinski's Rule of Five, 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone 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 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The CAS number of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is 301331-06-6.
What is the molecular formula of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The molecular formula of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is C17H19N3OS.
What is the molecular weight of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The molecular weight of 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is 313.12 g/mol.
Where can I buy 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
You can request a quote for 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.