![3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide structure](/static/products/812/81292-66-2.png)
3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
TL;DR: 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide (CAS 81292-66-2) is a chemical compound with molecular formula C21H23F3N2O4S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide, 3,4,5-triethoxy-N-{[3-(trifluoromethyl)phenyl]carbamothioyl}benzamide, 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C21H23F3N2O4S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 5.0283 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.13306 |
| Heavy Atoms | 31 |
| Complexity | 908.07623 |
Chemical Identifiers
| CAS Number | 81292-66-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide (CAS 81292-66-2), with molecular formula C21H23F3N2O4S and molecular weight 456.13 g/mol. IUPAC: 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Property Insights of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
The XLogP value of 5.0283 indicates that 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The CAS number of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide is 81292-66-2.
What is the molecular formula of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The molecular formula of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide is C21H23F3N2O4S.
What is the molecular weight of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The molecular weight of 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide is 456.13 g/mol.
Where can I buy 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
You can request a quote for 3,4,5-triethoxy-N-[[3-(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 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-triethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.