2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide
TL;DR: 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide (CAS 674364-68-2) is a chemical compound with molecular formula C19H16Cl2F3N3OS and molecular weight 461.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide, 2,5-dichloro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide, 2,5-dichloro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide, 2,5-dichloro-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C19H16Cl2F3N3OS |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 5.7392 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.03433 |
| Heavy Atoms | 29 |
| Complexity | 946.782 |
Chemical Identifiers
| CAS Number | 674364-68-2 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide (CAS 674364-68-2), with molecular formula C19H16Cl2F3N3OS and molecular weight 461.03 g/mol. IUPAC: 2,5-dichloro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide
Property Insights of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide
The XLogP value of 5.7392 indicates that 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
The CAS number of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is 674364-68-2.
What is the molecular formula of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
The molecular formula of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is C19H16Cl2F3N3OS.
What is the molecular weight of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
The molecular weight of 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is 461.03 g/mol.
Where can I buy 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
You can request a quote for 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dichloro-N-((2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.