4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide
TL;DR: 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide (CAS 391896-51-8) is a chemical compound with molecular formula C24H14F3N3O3S3 and molecular weight 545.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoyl-N-[[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
Also Known As: 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide, F0496-0129, 1-(4-benzoylbenzoyl)-3-[4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]thiourea, 4-benzoyl-N-[[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide, 4-benzoyl-N-[[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]thiocarbamoyl]benzamide
| Molecular Formula | C24H14F3N3O3S3 |
|---|---|
| Molecular Weight | 545.01 g/mol |
| LogP | 5.9744 |
| Topological Polar Surface Area | 88.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.01495 |
| Heavy Atoms | 36 |
| Complexity | 1432.27 |
Chemical Identifiers
| CAS Number | 391896-51-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC(=C(S3)C(=O)C(F)(F)F)C4=CC=CS4 |
Product Overview
4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide (CAS 391896-51-8), with molecular formula C24H14F3N3O3S3 and molecular weight 545.01 g/mol. IUPAC: 4-benzoyl-N-[[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide.
Chemical Property Profile of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide
Property Insights of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide
The XLogP value of 5.9744 indicates that 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide?
The CAS number of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide is 391896-51-8.
What is the molecular formula of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide?
The molecular formula of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide is C24H14F3N3O3S3.
What is the molecular weight of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide?
The molecular weight of 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide is 545.01 g/mol.
Where can I buy 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide?
You can request a quote for 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzoyl-N-((4-(thiophen-2-yl)-5-(2,2,2-trifluoroacetyl)thiazol-2-yl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.