3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride
TL;DR: 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride (CAS 862704-70-9) is a chemical compound with molecular formula C12H8ClF3N2O2S and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl chloride
Also Known As: 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride, 3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-propionyl chloride, 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoyl chloride, 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl chloride, 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]propanoyl chloride
| Molecular Formula | C12H8ClF3N2O2S |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 4.003 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.99472 |
| Heavy Atoms | 21 |
| Complexity | 631.9279 |
Chemical Identifiers
| CAS Number | 862704-70-9 |
|---|---|
| SMILES | C1=COC(=C1)C2=CC(=NC(=N2)SCCC(=O)Cl)C(F)(F)F |
Product Overview
3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride (CAS 862704-70-9), with molecular formula C12H8ClF3N2O2S and molecular weight 335.99 g/mol. IUPAC: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl chloride.
Chemical Property Profile of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride
Property Insights of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride
The XLogP value of 4.003 indicates that 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.99 Ų, 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride 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 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride?
The CAS number of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride is 862704-70-9.
What is the molecular formula of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride?
The molecular formula of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride is C12H8ClF3N2O2S.
What is the molecular weight of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride?
The molecular weight of 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride is 335.99 g/mol.
Where can I buy 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride?
You can request a quote for 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.