(5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone
TL;DR: (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone (CAS 898648-20-9) is a chemical compound with molecular formula C16H17ClN4OS and molecular weight 348.08 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-phenylpiperazin-1-yl)methanone
Also Known As: F3290-0111, VU0608953-1, (5-chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone, (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-phenylpiperazin-1-yl)methanone, [5-chloro-2-(methylthio)-4-pyrimidinyl](4-phenyl-1-piperazinyl)methanone
| Molecular Formula | C16H17ClN4OS |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.8143 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.08115 |
| Heavy Atoms | 23 |
| Complexity | 689.7345 |
Chemical Identifiers
| CAS Number | 898648-20-9 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl |
Product Overview
(5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone (CAS 898648-20-9), with molecular formula C16H17ClN4OS and molecular weight 348.08 g/mol. IUPAC: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone
Property Insights of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone
The XLogP value of 2.8143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone. With a topological polar surface area (TPSA) of 49.33 Ų, (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone 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-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone?
The CAS number of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone is 898648-20-9.
What is the molecular formula of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone?
The molecular formula of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone is C16H17ClN4OS.
What is the molecular weight of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone?
The molecular weight of (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone is 348.08 g/mol.
Where can I buy (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone?
You can request a quote for (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone 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-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-phenylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.