![4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide structure](/static/products/4284/428478-86-8.webp)
4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
TL;DR: 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide (CAS 428478-86-8) is a chemical compound with molecular formula C25H22N4O5S and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
Also Known As: 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide, 4-ethoxy-N-{[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-nitrobenzamide, 4-ethoxy-N-[[4-(5-ethylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide
| Molecular Formula | C25H22N4O5S |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 5.4909 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.1311 |
| Heavy Atoms | 35 |
| Complexity | 1415.407 |
Chemical Identifiers
| CAS Number | 428478-86-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)[N+](=O)[O-] |
Product Overview
4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide (CAS 428478-86-8), with molecular formula C25H22N4O5S and molecular weight 490.13 g/mol. IUPAC: 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
Property Insights of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide
The XLogP value of 5.4909 indicates that 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]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-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]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-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide?
The CAS number of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide is 428478-86-8.
What is the molecular formula of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide?
The molecular formula of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide is C25H22N4O5S.
What is the molecular weight of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide?
The molecular weight of 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide is 490.13 g/mol.
Where can I buy 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide?
You can request a quote for 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]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-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethoxy-N-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.