![2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide structure](/static/products/4256/425651-21-4.webp)
2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
TL;DR: 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide (CAS 425651-21-4) is a chemical compound with molecular formula C21H13Cl2N3O2S and molecular weight 441.01056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Also Known As: 2-chloro-N-((3-(5-chlorobenzo[d]oxazol-2-yl)phenyl)carbamothioyl)benzamide, 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide, 2-chloro-N-{[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide, 2-chloro-N-[[3-(5-chlorobenzooxazol-2-yl)phenyl]thiocarbamoyl]benzamide
Technical Specifications
| Molecular Formula | C21H13Cl2N3O2S |
| Molecular Weight | 441.01056 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01056 Da |
| Heavy Atoms | 29 |
| Complexity | 610.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)Cl |
| InChIKey | SRKUZSXUYHOXAO-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
Property Insights of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
The XLogP value of 6.3 indicates that 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide 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 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide 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 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
The CAS number of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is 425651-21-4.
What is the molecular formula of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
The molecular formula of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is C21H13Cl2N3O2S.
What is the molecular weight of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
The molecular weight of 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide is 441.01056 g/mol.
Where can I buy 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
You can request a quote for 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide?
Yes, CoreyChem provides custom synthesis services for 2-chloro-N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.