![N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide structure](/static/products/6107/6107-32-0.webp)
N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide
TL;DR: N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide (CAS 6107-32-0) is a chemical compound with molecular formula C21H13BrClN3O2S and molecular weight 484.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide
Also Known As: BIM-0045813.P001, N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide, N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide, N-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino}carbonothioyl)-2-chlorobenzamide
| Molecular Formula | C21H13BrClN3O2S |
|---|---|
| Molecular Weight | 484.96 g/mol |
| LogP | 6.0375 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.96005 |
| Heavy Atoms | 29 |
| Complexity | 1241.5686 |
Chemical Identifiers
| CAS Number | 6107-32-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4Cl)Br |
Product Overview
N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide (CAS 6107-32-0), with molecular formula C21H13BrClN3O2S and molecular weight 484.96 g/mol. IUPAC: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chlorobenzamide.
Chemical Property Profile of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide
Property Insights of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide
The XLogP value of 6.0375 indicates that N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide 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-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide. Following Lipinski's Rule of Five, N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide 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-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
The CAS number of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is 6107-32-0.
What is the molecular formula of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
The molecular formula of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is C21H13BrClN3O2S.
What is the molecular weight of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
The molecular weight of N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide is 484.96 g/mol.
Where can I buy N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
You can request a quote for N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.