![N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide structure](/static/products/4284/428476-65-7.webp)
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
TL;DR: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide (CAS 428476-65-7) is a chemical compound with molecular formula C24H20N4O5S and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
Also Known As: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide, N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide, N-[(3-benzooxazol-2-yl-2-methyl-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide
| Molecular Formula | C24H20N4O5S |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 5.23692 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.11545 |
| Heavy Atoms | 34 |
| Complexity | 1382.7681 |
Chemical Identifiers
| CAS Number | 428476-65-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C3=NC4=CC=CC=C4O3)[N+](=O)[O-] |
Product Overview
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide (CAS 428476-65-7), with molecular formula C24H20N4O5S and molecular weight 476.12 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
Property Insights of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
The XLogP value of 5.23692 indicates that N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]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-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]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-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The CAS number of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide is 428476-65-7.
What is the molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The molecular formula of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide is C24H20N4O5S.
What is the molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
The molecular weight of N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide is 476.12 g/mol.
Where can I buy N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
You can request a quote for N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]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-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.