![N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide structure](/static/products/4256/425677-89-0.webp)
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
TL;DR: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide (CAS 425677-89-0) 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-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
Also Known As: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide, N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-bromobenzamide
| 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 | 1138.723 |
Chemical Identifiers
| CAS Number | 425677-89-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)Br |
Product Overview
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide (CAS 425677-89-0), with molecular formula C21H14BrN3O2S and molecular weight 451.00 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide.
Chemical Property Profile of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
Property Insights of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide
The XLogP value of 5.3841 indicates that N-[[4-(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 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide. Following Lipinski's Rule of Five, N-[[4-(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
Frequently Asked Questions
What is the CAS number of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
The CAS number of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is 425677-89-0.
What is the molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
The molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is C21H14BrN3O2S.
What is the molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
The molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide is 451.00 g/mol.
Where can I buy N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
You can request a quote for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.