4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-
TL;DR: 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- (CAS 127183-47-5) is a chemical compound with molecular formula C10H13F3N2OS and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-[(4,4,6-trimethyl-5H-pyrimidin-2-yl)sulfanyl]propan-2-one
Also Known As: 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-, 1,1,1-trifluoro-3-[(4,4,6-trimethyl-5H-pyrimidin-2-yl)sulfanyl]propan-2-one, 1,1,1-trifluoro-3-[(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)sulfanyl]propan-2-one
| Molecular Formula | C10H13F3N2OS |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.07007 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 127183-47-5 |
|---|---|
| SMILES | CC1=NC(=NC(C1)(C)C)SCC(=O)C(F)(F)F |
| InChIKey | PQBBJSQPMHXWHI-UHFFFAOYSA-N |
Product Overview
4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- (CAS 127183-47-5), with molecular formula C10H13F3N2OS and molecular weight 266.07 g/mol. IUPAC: 1,1,1-trifluoro-3-[(4,4,6-trimethyl-5H-pyrimidin-2-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-
Property Insights of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-. Following Lipinski's Rule of Five, 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- has 0 hydrogen bond donor(s) and 6 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-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
The CAS number of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- is 127183-47-5.
What is the molecular formula of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
The molecular formula of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- is C10H13F3N2OS.
What is the molecular weight of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
The molecular weight of 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- is 266.07 g/mol.
Where can I buy 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
You can request a quote for 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-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-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 4(5H)-Pyrimidinone, 3-((4,5-dihydro-4,4,6-trimethyl-2-pyrimidinyl)thio)-1,1,1-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.