![N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide structure](/static/products/5161/5161-52-4.webp)
N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide
TL;DR: N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide (CAS 5161-52-4) is a chemical compound with molecular formula C17H20F3N3O2S and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
Also Known As: N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide, 4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-tert-butyl-butanamide, N-(tert-butyl)-4-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]butanamide, N-tert-butyl-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
| Molecular Formula | C17H20F3N3O2S |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 4.5424 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.12283 |
| Heavy Atoms | 26 |
| Complexity | 740.6968 |
Chemical Identifiers
| CAS Number | 5161-52-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CCCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC=CO2 |
Product Overview
N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide (CAS 5161-52-4), with molecular formula C17H20F3N3O2S and molecular weight 387.12 g/mol. IUPAC: N-tert-butyl-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide.
Chemical Property Profile of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide
Property Insights of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide
The XLogP value of 4.5424 indicates that N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide. Following Lipinski's Rule of Five, N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide has 1 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 N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide?
The CAS number of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide is 5161-52-4.
What is the molecular formula of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide?
The molecular formula of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide is C17H20F3N3O2S.
What is the molecular weight of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide?
The molecular weight of N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide is 387.12 g/mol.
Where can I buy N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide?
You can request a quote for N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.