![2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone structure](/static/products/3391/339101-49-4.webp)
2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 339101-49-4) is a chemical compound with molecular formula C13H9Cl2F3N2OS and molecular weight 367.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: Bionet1_001516, 8J-508S, 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one, 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
| Molecular Formula | C13H9Cl2F3N2OS |
|---|---|
| Molecular Weight | 367.98 g/mol |
| LogP | 4.3982 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.97647 |
| Heavy Atoms | 22 |
| Complexity | 761.926 |
Chemical Identifiers
| CAS Number | 339101-49-4 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SCC2=C(C=C(C=C2)Cl)Cl)C(F)(F)F |
Product Overview
2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 339101-49-4), with molecular formula C13H9Cl2F3N2OS and molecular weight 367.98 g/mol. IUPAC: 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 4.3982 indicates that 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone has 0 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-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 339101-49-4.
What is the molecular formula of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is C13H9Cl2F3N2OS.
What is the molecular weight of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 367.98 g/mol.
Where can I buy 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone 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-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.