3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide
TL;DR: 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide (CAS 640253-18-5) is a chemical compound with molecular formula C23H26F3N3O3S and molecular weight 481.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropoxy)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide, 3-(2-methylpropoxy)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide, 3-(2-methylpropoxy)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide, 3-(2-methylpropoxy)-N-{[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}benzamide
| Molecular Formula | C23H26F3N3O3S |
|---|---|
| Molecular Weight | 481.16 g/mol |
| LogP | 4.7036 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.1647 |
| Heavy Atoms | 33 |
| Complexity | 992.4023 |
Chemical Identifiers
| CAS Number | 640253-18-5 |
|---|---|
| SMILES | CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3 |
Product Overview
3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide (CAS 640253-18-5), with molecular formula C23H26F3N3O3S and molecular weight 481.16 g/mol. IUPAC: 3-(2-methylpropoxy)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide
Property Insights of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide
The XLogP value of 4.7036 indicates that 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide has 2 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 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
The CAS number of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is 640253-18-5.
What is the molecular formula of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
The molecular formula of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is C23H26F3N3O3S.
What is the molecular weight of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
The molecular weight of 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide is 481.16 g/mol.
Where can I buy 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
You can request a quote for 3-isobutoxy-N-((2-morpholino-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 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutoxy-N-((2-morpholino-5-(trifluoromethyl)phenyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.