![N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide structure](/static/products/4284/428445-99-2.webp)
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
TL;DR: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide (CAS 428445-99-2) is a chemical compound with molecular formula C23H17ClFN3O2S and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide, N-((4-chloro-3-(5-ethylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-fluorobenzamide, N-({[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]amino}carbonothioyl)-4-fluorobenzamide, N-[[4-chloro-3-(5-ethylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide, N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
| Molecular Formula | C23H17ClFN3O2S |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 5.9765 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.0714 |
| Heavy Atoms | 31 |
| Complexity | 1287.9762 |
Chemical Identifiers
| CAS Number | 428445-99-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl |
Product Overview
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide (CAS 428445-99-2), with molecular formula C23H17ClFN3O2S and molecular weight 453.07 g/mol. IUPAC: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
Property Insights of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
The XLogP value of 5.9765 indicates that N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]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-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]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-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide?
The CAS number of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide is 428445-99-2.
What is the molecular formula of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide?
The molecular formula of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide is C23H17ClFN3O2S.
What is the molecular weight of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide?
The molecular weight of N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide is 453.07 g/mol.
Where can I buy N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide?
You can request a quote for N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]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-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.