![N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide structure](/static/products/4284/428489-33-2.webp)
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide (CAS 428489-33-2) is a chemical compound with molecular formula C21H14BrN3O2S and molecular weight 450.99902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide, N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-bromobenzamide, N-[(3-benzooxazol-2-ylphenyl)thiocarbamoyl]-2-bromo-benzamide
Technical Specifications
| Molecular Formula | C21H14BrN3O2S |
| Molecular Weight | 450.99902 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.99902 Da |
| Heavy Atoms | 28 |
| Complexity | 578.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br |
| InChIKey | LTTFNIKEVGXTMG-UHFFFAOYSA-N |
Product Description
Applications: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide (CAS 428489-33-2) is a fine chemical with the molecular formula C21H14BrN3O2S and a molecular weight of 451 g/mol. Synonyms include N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide and N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-bromobenzamide.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
The XLogP value of 5.7 indicates that N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is 428489-33-2.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is C21H14BrN3O2S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is 450.99902 g/mol.
What are the applications of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full...
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
Yes, CoreyChem provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.