![N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide structure](/static/products/4284/428449-22-3.webp)
N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide
TL;DR: N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide (CAS 428449-22-3) 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.
N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide
Also Known As: N-((2-(2,5-dichlorophenyl)benzo[d]oxazol-5-yl)carbamothioyl)-4-fluorobenzamide, N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide, N-[[2-(2,5-dichlorophenyl)benzooxazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide, N-{[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-4-fluorobenzamide
| 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 | 1275.233 |
Chemical Identifiers
| CAS Number | 428449-22-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)Cl)Cl)F |
Product Overview
N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide (CAS 428449-22-3), with molecular formula C21H12Cl2FN3O2S and molecular weight 459.00 g/mol. IUPAC: N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide
Property Insights of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide
The XLogP value of 6.0675 indicates that N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide 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-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide 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-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide is 428449-22-3.
What is the molecular formula of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide is C21H12Cl2FN3O2S.
What is the molecular weight of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide is 459.00 g/mol.
Where can I buy N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.