![N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide structure](/static/products/4284/428488-82-8.webp)
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide
TL;DR: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide (CAS 428488-82-8) is a chemical compound with molecular formula C21H13ClFN3O2S and molecular weight 425.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide
Also Known As: AB00106749-01, N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-2-fluorobenzamide, N-[(5-benzooxazol-2-yl-2-chloro-phenyl)thiocarbamoyl]-2-fluoro-benzamide, 1-[5-(1,3-BENZOXAZOL-2-YL)-2-CHLOROPHENYL]-3-(2-FLUOROBENZOYL)THIOUREA
| Molecular Formula | C21H13ClFN3O2S |
|---|---|
| Molecular Weight | 425.04 g/mol |
| LogP | 5.4141 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.0401 |
| Heavy Atoms | 29 |
| Complexity | 1208.5686 |
Chemical Identifiers
| CAS Number | 428488-82-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl)F |
Product Overview
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide (CAS 428488-82-8), with molecular formula C21H13ClFN3O2S and molecular weight 425.04 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide.
Chemical Property Profile of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide
Property Insights of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide
The XLogP value of 5.4141 indicates that N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-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-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-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-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide?
The CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide is 428488-82-8.
What is the molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide?
The molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide is C21H13ClFN3O2S.
What is the molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide?
The molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide is 425.04 g/mol.
Where can I buy N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide?
You can request a quote for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.