4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-
TL;DR: 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- (CAS 127183-44-2) is a chemical compound with molecular formula C7H5F3N2OS and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-one
Also Known As: 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-, 1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-one, 1,1,1-trifluoro-3-pyrimidin-2-ylsulfanyl-propan-2-one, 1,1,1-Trifluoro-3-[(pyrimidin-2-yl)sulfanyl]propan-2-one
| Molecular Formula | C7H5F3N2OS |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.00746 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 127183-44-2 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)C(F)(F)F |
| InChIKey | BSLRZZHMMDRBGD-UHFFFAOYSA-N |
Product Overview
4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- (CAS 127183-44-2), with molecular formula C7H5F3N2OS and molecular weight 222.01 g/mol. IUPAC: 1,1,1-trifluoro-3-pyrimidin-2-ylsulfanylpropan-2-one.
Chemical Property Profile of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-
Property Insights of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-. Following Lipinski's Rule of Five, 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- 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, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-?
The CAS number of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- is 127183-44-2.
What is the molecular formula of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-?
The molecular formula of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- is C7H5F3N2OS.
What is the molecular weight of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-?
The molecular weight of 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- is 222.01 g/mol.
Where can I buy 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-?
You can request a quote for 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- 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, 1,1,1-trifluoro-3-(2-pyrimidinylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(5H)-Pyrimidinone, 1,1,1-trifluoro-3-(2-pyrimidinylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.