![3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide structure](/static/products/3811/381183-45-5.webp)
3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
TL;DR: 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide (CAS 381183-45-5) is a chemical compound with molecular formula C21H12Cl2FN3O2S and molecular weight 459.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Also Known As: 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide, 3-chloro-N-((2-(2-chloro-4-fluorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)benzamide, 3-chloro-N-[[2-(2-chloro-4-fluoro-phenyl)benzooxazol-5-yl]thiocarbamoyl]benzamide, 3-chloro-N-{[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}benzamide
| Molecular Formula | C21H12Cl2FN3O2S |
|---|---|
| Molecular Weight | 459.00 g/mol |
| LogP | 6.0675 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.00113 |
| Heavy Atoms | 30 |
| Complexity | 1292.483 |
Chemical Identifiers
| CAS Number | 381183-45-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl |
Product Overview
3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide (CAS 381183-45-5), with molecular formula C21H12Cl2FN3O2S and molecular weight 459.00 g/mol. IUPAC: 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
Property Insights of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
The XLogP value of 6.0675 indicates that 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide 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 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide 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 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The CAS number of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is 381183-45-5.
What is the molecular formula of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The molecular formula of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is C21H12Cl2FN3O2S.
What is the molecular weight of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
The molecular weight of 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide is 459.00 g/mol.
Where can I buy 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
You can request a quote for 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.