2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide
TL;DR: 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide (CAS 672914-71-5) is a chemical compound with molecular formula C20H20F3N3O2S and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
Also Known As: 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide, 2-phenoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide, 2-phenoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiocarbamoyl]acetamide, 2-phenoxy-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}acetamide
| Molecular Formula | C20H20F3N3O2S |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.1976 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12283 |
| Heavy Atoms | 29 |
| Complexity | 869.0203 |
Chemical Identifiers
| CAS Number | 672914-71-5 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)COC3=CC=CC=C3 |
Product Overview
2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide (CAS 672914-71-5), with molecular formula C20H20F3N3O2S and molecular weight 423.12 g/mol. IUPAC: 2-phenoxy-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide.
Chemical Property Profile of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide
Property Insights of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide
The XLogP value of 4.1976 indicates that 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide has 2 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 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide?
The CAS number of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide is 672914-71-5.
What is the molecular formula of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide?
The molecular formula of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide is C20H20F3N3O2S.
What is the molecular weight of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide?
The molecular weight of 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide is 423.12 g/mol.
Where can I buy 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide?
You can request a quote for 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-phenoxy-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.