VU0047522-1
TL;DR: VU0047522-1 (CAS 647819-79-2) is a chemical compound with molecular formula C17H15F4N3OS and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: VU0047522-1, AN-329/42286062, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-1-pyrrolidinyleth an-1-one, 4-(4-fluorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-6-(trifluoromethyl)pyrimidine
| Molecular Formula | C17H15F4N3OS |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 4.016 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0872 |
| Heavy Atoms | 26 |
| Complexity | 789.58527 |
Chemical Identifiers
| CAS Number | 647819-79-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F |
Product Overview
VU0047522-1 (CAS 647819-79-2), with molecular formula C17H15F4N3OS and molecular weight 385.09 g/mol. IUPAC: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of VU0047522-1
Property Insights of VU0047522-1
The XLogP value of 4.016 indicates that VU0047522-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, VU0047522-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0047522-1 has 0 hydrogen bond donor(s) and 4 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 VU0047522-1?
The CAS number of VU0047522-1 is 647819-79-2.
What is the molecular formula of VU0047522-1?
The molecular formula of VU0047522-1 is C17H15F4N3OS.
What is the molecular weight of VU0047522-1?
The molecular weight of VU0047522-1 is 385.09 g/mol.
Where can I buy VU0047522-1?
You can request a quote for VU0047522-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0047522-1?
Yes, KEHONG BIO provides custom synthesis services for VU0047522-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.