![N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide structure](/static/products/4284/428494-29-5.webp)
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
TL;DR: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide (CAS 428494-29-5) is a chemical compound with molecular formula C23H17ClN4O5S and molecular weight 496.06 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]-4-ethoxy-3-nitrobenzamide
Also Known As: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide, N-{[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
| Molecular Formula | C23H17ClN4O5S |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 5.5819 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.06082 |
| Heavy Atoms | 34 |
| Complexity | 1388.7653 |
Chemical Identifiers
| CAS Number | 428494-29-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl)[N+](=O)[O-] |
Product Overview
N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide (CAS 428494-29-5), with molecular formula C23H17ClN4O5S and molecular weight 496.06 g/mol. IUPAC: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide.
Chemical Property Profile of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
Property Insights of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
The XLogP value of 5.5819 indicates that N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-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 N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-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 N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The CAS number of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide is 428494-29-5.
What is the molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The molecular formula of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide is C23H17ClN4O5S.
What is the molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The molecular weight of N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide is 496.06 g/mol.
Where can I buy N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
You can request a quote for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide 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]-4-ethoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.