![N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide structure](/static/products/6416/6416-90-6.webp)
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide (CAS 6416-90-6) is a chemical compound with molecular formula C21H14BrN3O2S and molecular weight 451.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide, N-{[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-bromobenzamide, N-[(3-benzooxazol-2-ylphenyl)thiocarbamoyl]-3-bromo-benzamide
| Molecular Formula | C21H14BrN3O2S |
|---|---|
| Molecular Weight | 451.00 g/mol |
| LogP | 5.3841 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.99902 |
| Heavy Atoms | 28 |
| Complexity | 1155.973 |
Chemical Identifiers
| CAS Number | 6416-90-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)Br |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide (CAS 6416-90-6), with molecular formula C21H14BrN3O2S and molecular weight 451.00 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide
The XLogP value of 5.3841 indicates that N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide 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 N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide 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 N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide is 6416-90-6.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide is C21H14BrN3O2S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide is 451.00 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.