![ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate structure](/static/products/7082/708284-43-9.webp)
ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate
TL;DR: ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate (CAS 708284-43-9) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate
Also Known As: ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate, ethyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate, ethyl 4-(3-(2-(1H-imidazol-4-yl)ethyl)thioureido)benzoate, ethyl 4-({[(2-imidazol-4-ylethyl)amino]thioxomethyl}amino)benzoate, ethyl 4-[({[2-(1H-imidazol-4-yl)ethyl]amino}carbonothioyl)amino]benzoate
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.1155 |
| Topological Polar Surface Area | 79.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 610.9825 |
Chemical Identifiers
| CAS Number | 708284-43-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CN=CN2 |
Product Overview
ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate (CAS 708284-43-9), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: ethyl 4-[2-(1H-imidazol-5-yl)ethylcarbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate
Property Insights of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate
The XLogP value of 2.1155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate. The TPSA of 79.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate has 3 hydrogen bond donor(s) and 4 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 ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate?
The CAS number of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate is 708284-43-9.
What is the molecular formula of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate is C15H18N4O2S.
What is the molecular weight of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate is 318.12 g/mol.
Where can I buy ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[2-(1H-imidazol-4-yl)ethyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.