4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one
TL;DR: 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one (CAS 195002-97-2) is a chemical compound with molecular formula C12H11ClN2OS and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one
Also Known As: 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one, AB00679923-01, 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one, 4-((4-chlorobenzyl)thio)-6-methylpyrimidin-2(1H)-one, F2585-0247
| Molecular Formula | C12H11ClN2OS |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 3.02402 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.02808 |
| Heavy Atoms | 17 |
| Complexity | 565.46344 |
Chemical Identifiers
| CAS Number | 195002-97-2 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one (CAS 195002-97-2), with molecular formula C12H11ClN2OS and molecular weight 266.03 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one.
Chemical Property Profile of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one
Property Insights of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one
The XLogP value of 3.02402 indicates that 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one has 1 hydrogen bond donor(s) and 3 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-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one?
The CAS number of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one is 195002-97-2.
What is the molecular formula of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one?
The molecular formula of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one is C12H11ClN2OS.
What is the molecular weight of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one?
The molecular weight of 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one is 266.03 g/mol.
Where can I buy 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one?
You can request a quote for 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorobenzylthio)-6-methylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.