![2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide structure](/static/products/5932/593238-52-9.webp)
2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
TL;DR: 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide (CAS 593238-52-9) 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.
2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide, BENZAMIDE, 2-CHLORO-N-[[[3-(5-ETHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-4-FLUORO-, 2-Chloro-N-((3-(5-ethylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)-4-fluorobenzamide, 2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide, 2-chloro-N-[[3-(5-ethylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide
| 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 | 1305.2262 |
Chemical Identifiers
| CAS Number | 593238-52-9 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl |
Product Overview
2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide (CAS 593238-52-9), with molecular formula C23H17ClFN3O2S and molecular weight 453.07 g/mol. IUPAC: 2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
Property Insights of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide
The XLogP value of 5.9765 indicates that 2-chloro-N-{[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 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-{[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 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
The CAS number of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is 593238-52-9.
What is the molecular formula of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
The molecular formula of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is C23H17ClFN3O2S.
What is the molecular weight of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
The molecular weight of 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide is 453.07 g/mol.
Where can I buy 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
You can request a quote for 2-chloro-N-{[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 2-chloro-N-{[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{[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.