4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-
TL;DR: 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- (CAS 127183-46-4) is a chemical compound with molecular formula C9H9F3N2OS and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,1,1-trifluoropropan-2-one
Also Known As: 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-, 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,1,1-trifluoropropan-2-one, 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,1,1-trifluoro-propan-2-one, 3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]-1,1,1-TRIFLUOROPROPAN-2-ONE
| Molecular Formula | C9H9F3N2OS |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03877 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 127183-46-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)C(F)(F)F)C |
| InChIKey | XXEMLYYGLAYOSQ-UHFFFAOYSA-N |
Product Overview
4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- (CAS 127183-46-4), with molecular formula C9H9F3N2OS and molecular weight 250.04 g/mol. IUPAC: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,1,1-trifluoropropan-2-one.
Chemical Property Profile of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-
Property Insights of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-. Following Lipinski's Rule of Five, 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- has 0 hydrogen bond donor(s) and 7 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(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
The CAS number of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- is 127183-46-4.
What is the molecular formula of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
The molecular formula of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- is C9H9F3N2OS.
What is the molecular weight of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
The molecular weight of 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- is 250.04 g/mol.
Where can I buy 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
You can request a quote for 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 4(5H)-Pyrimidinone, 3-((4,6-dimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.