5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone
TL;DR: 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone (CAS 838843-97-3) is a chemical compound with molecular formula C11H15ClN4OS and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
Also Known As: 5-chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone, F3321-0124, (5-chloro-2-(methylthio)pyrimidin-4-yl)(4-methylpiperazin-1-yl)methanone, (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone, (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
| Molecular Formula | C11H15ClN4OS |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 1.2395 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.06552 |
| Heavy Atoms | 18 |
| Complexity | 448.6694 |
Chemical Identifiers
| CAS Number | 838843-97-3 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SC |
Product Overview
5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone (CAS 838843-97-3), with molecular formula C11H15ClN4OS and molecular weight 286.07 g/mol. IUPAC: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone
Property Insights of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone
The XLogP value of 1.2395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone. With a topological polar surface area (TPSA) of 49.33 Ų, 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone 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 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone?
The CAS number of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone is 838843-97-3.
What is the molecular formula of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone?
The molecular formula of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone is C11H15ClN4OS.
What is the molecular weight of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone?
The molecular weight of 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone is 286.07 g/mol.
Where can I buy 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone?
You can request a quote for 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-methylthiopyrimidin-4-yl 4-methylpiperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.