1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
TL;DR: 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone (CAS 328277-50-5) 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-(6-methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
Also Known As: BIM-0021562.P001, AB00086575-01, 1-(6-methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone, 1-[6-methyl-1-phenyl-4-(1-pyrrolidinyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl]ethanone, 5-acetyl-4-methyl-3-phenyl-6-pyrrolidinyl-2-thioxo-3-hydropyrimidine
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 328277-50-5 |
|---|---|
| SMILES | CC1=C(C(=NC(=S)N1C2=CC=CC=C2)N3CCCC3)C(=O)C |
| InChIKey | MGKCGQDHQZCJNE-UHFFFAOYSA-N |
Product Overview
1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone (CAS 328277-50-5), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 1-(6-methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone.
Chemical Property Profile of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
Property Insights of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone. Following Lipinski's Rule of Five, 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone has 0 hydrogen bond donor(s) and 2 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-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone?
The CAS number of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone is 328277-50-5.
What is the molecular formula of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone?
The molecular formula of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone is C17H19N3OS.
What is the molecular weight of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone?
The molecular weight of 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone is 313.12 g/mol.
Where can I buy 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone?
You can request a quote for 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-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-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Methyl-1-phenyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.