![3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4284/428480-70-0.webp)
3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 428480-70-0) is a chemical compound with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide, 3,4,5-triethoxy-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide
| Molecular Formula | C21H25N3O6S |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 4.22612 |
| Topological Polar Surface Area | 111.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.1464 |
| Heavy Atoms | 31 |
| Complexity | 952.5777 |
Chemical Identifiers
| CAS Number | 428480-70-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C |
Product Overview
3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 428480-70-0), with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol. IUPAC: 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 4.22612 indicates that 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 428480-70-0.
What is the molecular formula of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is C21H25N3O6S.
What is the molecular weight of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 447.15 g/mol.
Where can I buy 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.