4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
TL;DR: 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine (CAS 339017-59-3) is a chemical compound with molecular formula C9H12ClN3S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine
Also Known As: 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine, chlorobenzylindolylaceticacid, 4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine, 4-chloro-2-(methylsulfanyl)-6-(pyrrolidin-1-yl)pyrimidine, 4-chloro-2-methylthio-6-pyrrolidinylpyrimidine
| Molecular Formula | C9H12ClN3S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.4521 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04405 |
| Heavy Atoms | 14 |
| Complexity | 325.83316 |
Chemical Identifiers
| CAS Number | 339017-59-3 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)N2CCCC2 |
Product Overview
4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine (CAS 339017-59-3), with molecular formula C9H12ClN3S and molecular weight 229.04 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
Property Insights of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine
The XLogP value of 2.4521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine. With a topological polar surface area (TPSA) of 29.02 Ų, 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine 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 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine?
The CAS number of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine is 339017-59-3.
What is the molecular formula of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine?
The molecular formula of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine is C9H12ClN3S.
What is the molecular weight of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine?
The molecular weight of 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine is 229.04 g/mol.
Where can I buy 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine?
You can request a quote for 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(methylthio)-6-(pyrrolidin-1-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.