![2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile structure](/static/products/3031/303152-00-3.webp)
2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile
TL;DR: 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile (CAS 303152-00-3) is a chemical compound with molecular formula C14H8F3N3OS and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile
Also Known As: 11H-052, 2-phenacylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile, 2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile, 2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyrimidine-5-carbonitrile
| Molecular Formula | C14H8F3N3OS |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 3.34208 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.03403 |
| Heavy Atoms | 22 |
| Complexity | 726.3483 |
Chemical Identifiers
| CAS Number | 303152-00-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)C(F)(F)F)C#N |
Product Overview
2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile (CAS 303152-00-3), with molecular formula C14H8F3N3OS and molecular weight 323.03 g/mol. IUPAC: 2-phenacylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile
Property Insights of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile
The XLogP value of 3.34208 indicates that 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile has 0 hydrogen bond donor(s) and 5 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-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile?
The CAS number of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile is 303152-00-3.
What is the molecular formula of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile?
The molecular formula of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile is C14H8F3N3OS.
What is the molecular weight of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile?
The molecular weight of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile is 323.03 g/mol.
Where can I buy 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile?
You can request a quote for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.