![3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide structure](/static/products/812/81292-55-9.png)
3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide (CAS 81292-55-9) is a chemical compound with molecular formula C20H23N3O6S and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide, AB00108315-01, 3,4,5-triethoxy-N-[(3-nitrophenyl)thiocarbamoyl]benzamide
| Molecular Formula | C20H23N3O6S |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 3.9177 |
| Topological Polar Surface Area | 111.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.13077 |
| Heavy Atoms | 30 |
| Complexity | 907.503 |
Chemical Identifiers
| CAS Number | 81292-55-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide (CAS 81292-55-9), with molecular formula C20H23N3O6S and molecular weight 433.13 g/mol. IUPAC: 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.9177 indicates that 3,4,5-triethoxy-N-[(3-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-[(3-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-[(3-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-[(3-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide is 81292-55-9.
What is the molecular formula of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide is C20H23N3O6S.
What is the molecular weight of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide is 433.13 g/mol.
Where can I buy 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3,4,5-triethoxy-N-[(3-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-[(3-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-triethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.