![Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate structure](/static/products/3337/333741-12-1.webp)
Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate
TL;DR: Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate (CAS 333741-12-1) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(2-methylbenzoyl)carbamothioylamino]benzoate
Also Known As: BAS 02820823, ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate, ethyl 4-(3-(2-methylbenzoyl)thioureido)benzoate, ethyl 4-[(2-methylbenzoyl)carbamothioylamino]benzoate, Ethyl 4-[3-(2-methylbenzoyl)thioureido]benzoate
Technical Specifications
| Molecular Formula | C18H18N2O3S |
| Molecular Weight | 342.10382 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10382 Da |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2C |
| InChIKey | CADXZNMXSZFHTM-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate
Property Insights of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate
The XLogP value of 4.1 indicates that Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate is 333741-12-1.
What is the molecular formula of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate is C18H18N2O3S.
What is the molecular weight of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate is 342.10382 g/mol.
Where can I buy Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-({[(2-methylbenzoyl)amino]carbothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.