Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-
TL;DR: Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- (CAS 98280-50-3) is a chemical compound with molecular formula C7H8ClN3S and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aziridin-1-yl)-6-chloro-2-methylsulfanylpyrimidine
Also Known As: 4-(aziridin-1-yl)-6-chloro-2-methylsulfanylpyrimidine, Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-, 4-(1-aziridinyl)-6-chloro-2-(methylthio)Pyrimidine
| Molecular Formula | C7H8ClN3S |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.01274 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 98280-50-3 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)N2CC2 |
| InChIKey | YNRJCAXQTCRIEQ-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- (CAS 98280-50-3), with molecular formula C7H8ClN3S and molecular weight 201.01 g/mol. IUPAC: 4-(aziridin-1-yl)-6-chloro-2-methylsulfanylpyrimidine.
Chemical Property Profile of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-
Property Insights of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-. With a topological polar surface area (TPSA) of 54.1 Ų, Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- 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 Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-?
The CAS number of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- is 98280-50-3.
What is the molecular formula of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-?
The molecular formula of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- is C7H8ClN3S.
What is the molecular weight of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-?
The molecular weight of Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- is 201.01 g/mol.
Where can I buy Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-?
You can request a quote for Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-(1-aziridinyl)-6-chloro-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.