![4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one structure](/static/products/898/898421-58-4.png)
4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one
TL;DR: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one (CAS 898421-58-4) is a chemical compound with molecular formula C12H10Cl2N2OS and molecular weight 299.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one
Also Known As: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one, 4-((3,4-dichlorobenzyl)thio)-6-methylpyrimidin-2(1H)-one, AB00679927-01, F2585-0255, 4-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-methyl-1,2-dihydropyrimidin-2-one
| Molecular Formula | C12H10Cl2N2OS |
|---|---|
| Molecular Weight | 299.99 g/mol |
| LogP | 3.67742 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.98907 |
| Heavy Atoms | 18 |
| Complexity | 627.7147 |
Chemical Identifiers
| CAS Number | 898421-58-4 |
|---|---|
| SMILES | CC1=CC(=NC(=O)N1)SCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one (CAS 898421-58-4), with molecular formula C12H10Cl2N2OS and molecular weight 299.99 g/mol. IUPAC: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one.
Chemical Property Profile of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one
Property Insights of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one
The XLogP value of 3.67742 indicates that 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-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-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-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-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one?
The CAS number of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one is 898421-58-4.
What is the molecular formula of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one?
The molecular formula of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one is C12H10Cl2N2OS.
What is the molecular weight of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one?
The molecular weight of 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one is 299.99 g/mol.
Where can I buy 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one?
You can request a quote for 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.