![3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide structure](/static/products/4256/425680-36-0.webp)
3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
TL;DR: 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide (CAS 425680-36-0) is a chemical compound with molecular formula C21H13BrFN3O2S and molecular weight 468.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Also Known As: 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide, 3-bromo-N-{[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide, 3-bromo-N-[[2-(3-fluorophenyl)benzooxazol-5-yl]thiocarbamoyl]benzamide
| Molecular Formula | C21H13BrFN3O2S |
|---|---|
| Molecular Weight | 468.99 g/mol |
| LogP | 5.5232 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.9896 |
| Heavy Atoms | 29 |
| Complexity | 1241.5686 |
Chemical Identifiers
| CAS Number | 425680-36-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br |
Product Overview
3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide (CAS 425680-36-0), with molecular formula C21H13BrFN3O2S and molecular weight 468.99 g/mol. IUPAC: 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Property Insights of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
The XLogP value of 5.5232 indicates that 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The CAS number of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is 425680-36-0.
What is the molecular formula of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is C21H13BrFN3O2S.
What is the molecular weight of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is 468.99 g/mol.
Where can I buy 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-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 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.