4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-
TL;DR: 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- (CAS 127183-48-6) is a chemical compound with molecular formula C7H5F3N2O2S and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3,3-trifluoro-2-oxopropyl)sulfanyl-5H-pyrimidin-4-one
Also Known As: 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-, 2-(3,3,3-trifluoro-2-oxopropyl)sulfanyl-5H-pyrimidin-4-one, 2-(3,3,3-trifluoro-2-oxo-propyl)sulfanyl-5H-pyrimidin-4-one, 2-[(3,3,3-Trifluoro-2-oxopropyl)sulfanyl]pyrimidin-4(5H)-one
| Molecular Formula | C7H5F3N2O2S |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.00238 |
| Heavy Atoms | 15 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 127183-48-6 |
|---|---|
| SMILES | C1C=NC(=NC1=O)SCC(=O)C(F)(F)F |
| InChIKey | YXLSDMXYSANGLK-UHFFFAOYSA-N |
Product Overview
4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- (CAS 127183-48-6), with molecular formula C7H5F3N2O2S and molecular weight 238.00 g/mol. IUPAC: 2-(3,3,3-trifluoro-2-oxopropyl)sulfanyl-5H-pyrimidin-4-one.
Chemical Property Profile of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-
Property Insights of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-. Following Lipinski's Rule of Five, 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- 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, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
The CAS number of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- is 127183-48-6.
What is the molecular formula of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
The molecular formula of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- is C7H5F3N2O2S.
What is the molecular weight of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
The molecular weight of 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- is 238.00 g/mol.
Where can I buy 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
You can request a quote for 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- 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, 2-((3,3,3-trifluoro-2-oxopropyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(5H)-Pyrimidinone, 2-((3,3,3-trifluoro-2-oxopropyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.