4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one
TL;DR: 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one (CAS 898445-66-4) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one
Also Known As: 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one, AB00679914-01, 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one, F2585-0224, 4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-6-methyl-1,2-dihydropyrimidin-2-one
| Molecular Formula | C14H16N2OS |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.98746 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.09833 |
| Heavy Atoms | 18 |
| Complexity | 619.43134 |
Chemical Identifiers
| CAS Number | 898445-66-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NC(=O)NC(=C2)C |
Product Overview
4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one (CAS 898445-66-4), with molecular formula C14H16N2OS and molecular weight 260.10 g/mol. IUPAC: 4-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-2-one.
Chemical Property Profile of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one
Property Insights of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one
The XLogP value of 2.98746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 45.75 Ų, 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,5-dimethylbenzyl)thio)-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-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one?
The CAS number of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one is 898445-66-4.
What is the molecular formula of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one?
The molecular formula of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one is C14H16N2OS.
What is the molecular weight of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one?
The molecular weight of 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one is 260.10 g/mol.
Where can I buy 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one?
You can request a quote for 4-((2,5-dimethylbenzyl)thio)-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-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,5-dimethylbenzyl)thio)-6-methylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.