1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one
TL;DR: 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one (CAS 6192-24-1) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-benzylsulfanylpyrimidin-4-one
Also Known As: 1-benzyl-2-benzylsulfanylpyrimidin-4-one, 1-Benzyl-2-(benzylthio)pyrimidin-4(1H)-one, 1-benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one, 4(1H)-Pyrimidinone,1-(phenylmethyl)-2-[(phenylmethyl)thio]-
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 6192-24-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CC(=O)N=C2SCC3=CC=CC=C3 |
| InChIKey | PMWNVIARNYUXBO-UHFFFAOYSA-N |
Product Overview
1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one (CAS 6192-24-1), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: 1-benzyl-2-benzylsulfanylpyrimidin-4-one.
Chemical Property Profile of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one
Property Insights of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one
The XLogP value of 3.4 indicates that 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one has 0 hydrogen bond donor(s) and 2 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 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one?
The CAS number of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one is 6192-24-1.
What is the molecular formula of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one?
The molecular formula of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one is C18H16N2OS.
What is the molecular weight of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one?
The molecular weight of 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one is 308.10 g/mol.
Where can I buy 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one?
You can request a quote for 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-(benzylsulfanyl)pyrimidin-4(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.