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2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
TL;DR: 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one (CAS 353260-19-2) is a chemical compound with molecular formula C11H9FN2OS and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 2-(3-fluorobenzylthio)pyrimidin-4-ol, 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one, 2-[(3-fluorobenzyl)sulfanyl]-4(3H)-pyrimidinone, AI-204/31716050, 2-[(3-fluorophenyl)methylsulfanyl]-3H-pyrimidin-4-one
| Molecular Formula | C11H9FN2OS |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.2013 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.04196 |
| Heavy Atoms | 16 |
| Complexity | 541.2578 |
Chemical Identifiers
| CAS Number | 353260-19-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC2=NC=CC(=O)N2 |
Product Overview
2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one (CAS 353260-19-2), with molecular formula C11H9FN2OS and molecular weight 236.04 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Property Insights of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
The XLogP value of 2.2013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one. With a topological polar surface area (TPSA) of 45.75 Ų, 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-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 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The CAS number of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one is 353260-19-2.
What is the molecular formula of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The molecular formula of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one is C11H9FN2OS.
What is the molecular weight of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
The molecular weight of 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one is 236.04 g/mol.
Where can I buy 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
You can request a quote for 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.