![2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one structure](/static/products/919/91961-85-2.png)
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
TL;DR: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one (CAS 91961-85-2) 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.
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
Also Known As: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one, 2-[(2,4-dichlorobenzyl)sulfanyl]-5-methylpyrimidin-4(3H)-one, 2-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-5-methylpyrimidin-4(3H)-one
| Molecular Formula | C12H10Cl2N2OS |
|---|---|
| Molecular Weight | 299.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.98907 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 91961-85-2 |
|---|---|
| SMILES | CC1=CN=C(NC1=O)SCC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | YPEUOIUNZAFPQF-UHFFFAOYSA-N |
Product Overview
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one (CAS 91961-85-2), with molecular formula C12H10Cl2N2OS and molecular weight 299.99 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
Property Insights of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
The XLogP value of 3.3 indicates that 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-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-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The CAS number of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is 91961-85-2.
What is the molecular formula of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The molecular formula of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is C12H10Cl2N2OS.
What is the molecular weight of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The molecular weight of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is 299.99 g/mol.
Where can I buy 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
You can request a quote for 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-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-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.