![3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide structure](/static/products/806/80617-48-7.png)
3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide
TL;DR: 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide (CAS 80617-48-7) is a chemical compound with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide
Also Known As: 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide, AB00107794-01, Benzamide, 3,4,5-triethoxy-N-[[(4-methylphenyl)amino]thioxomethyl]-, 1-(4-METHYLPHENYL)-3-(3,4,5-TRIETHOXYBENZOYL)THIOUREA, 3,4,5-triethoxy-N-{[(4-methylphenyl)amino]carbonothioyl}benzamide
| Molecular Formula | C21H26N2O4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 4.31792 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.16132 |
| Heavy Atoms | 28 |
| Complexity | 794.65045 |
Chemical Identifiers
| CAS Number | 80617-48-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C |
Product Overview
3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide (CAS 80617-48-7), with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol. IUPAC: 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide
Property Insights of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide
The XLogP value of 4.31792 indicates that 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 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-[(4-methylphenyl)carbamothioyl]benzamide?
The CAS number of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide is 80617-48-7.
What is the molecular formula of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide?
The molecular formula of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide is C21H26N2O4S.
What is the molecular weight of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide?
The molecular weight of 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide is 402.16 g/mol.
Where can I buy 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide?
You can request a quote for 3,4,5-triethoxy-N-[(4-methylphenyl)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-[(4-methylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-triethoxy-N-[(4-methylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.