![ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate structure](/static/products/5164/516459-08-8.webp)
ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate
TL;DR: ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate (CAS 516459-08-8) is a chemical compound with molecular formula C18H19FN2O2S and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate
Also Known As: ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate, 4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester, ethyl 4-(3-(4-fluorophenethyl)thioureido)benzoate, A3367/0142992, ethyl 4-({[2-(4-fluorophenyl)ethyl]carbamothioyl}amino)benzoate
| Molecular Formula | C18H19FN2O2S |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.1151 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 516459-08-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F |
| InChIKey | DESKQVSDJBADCD-UHFFFAOYSA-N |
Product Overview
ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate (CAS 516459-08-8), with molecular formula C18H19FN2O2S and molecular weight 346.12 g/mol. IUPAC: ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate
Property Insights of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate
The XLogP value of 3.8 indicates that ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]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
Frequently Asked Questions
What is the CAS number of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate?
The CAS number of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate is 516459-08-8.
What is the molecular formula of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate?
The molecular formula of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate is C18H19FN2O2S.
What is the molecular weight of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate?
The molecular weight of ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate is 346.12 g/mol.
Where can I buy ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate?
You can request a quote for ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]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-(4-fluorophenyl)ethylcarbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2-(4-fluorophenyl)ethylcarbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.