![4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide structure](/static/products/4262/426217-76-7.webp)
4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide
TL;DR: 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide (CAS 426217-76-7) is a chemical compound with molecular formula C23H17FN4O5S and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide
Also Known As: 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide, 4-ethoxy-N-{[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-3-nitrobenzamide
| Molecular Formula | C23H17FN4O5S |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | 5.0676 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.09036 |
| Heavy Atoms | 34 |
| Complexity | 1421.7653 |
Chemical Identifiers
| CAS Number | 426217-76-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F)[N+](=O)[O-] |
Product Overview
4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide (CAS 426217-76-7), with molecular formula C23H17FN4O5S and molecular weight 480.09 g/mol. IUPAC: 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide
Property Insights of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide
The XLogP value of 5.0676 indicates that 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide?
The CAS number of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide is 426217-76-7.
What is the molecular formula of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide?
The molecular formula of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide is C23H17FN4O5S.
What is the molecular weight of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide?
The molecular weight of 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide is 480.09 g/mol.
Where can I buy 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide?
You can request a quote for 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethoxy-N-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.