![Ethyl 4-[(ethylcarbamothioyl)amino]benzoate structure](/static/products/1934/19340-42-2.webp)
Ethyl 4-[(ethylcarbamothioyl)amino]benzoate
TL;DR: Ethyl 4-[(ethylcarbamothioyl)amino]benzoate (CAS 19340-42-2) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(ethylcarbamothioylamino)benzoate
Also Known As: ethyl 4-[(ethylcarbamothioyl)amino]benzoate, ETHYL 4-(ETHYLTHIOCARBAMOYLAMINO)BENZOATE, ethyl 4-(ethylcarbamothioylamino)benzoate, 1-(4-ETHOXYCARBONYL)-3-ETHYL-2-THIOUREA, ethyl 4-{[(ethylamino)thioxomethyl]amino}benzoate
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.1696 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 389.99704 |
Chemical Identifiers
| CAS Number | 19340-42-2 |
|---|---|
| SMILES | CCNC(=S)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
Ethyl 4-[(ethylcarbamothioyl)amino]benzoate (CAS 19340-42-2), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: ethyl 4-(ethylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate
Property Insights of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate
The XLogP value of 2.1696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(ethylcarbamothioyl)amino]benzoate. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-[(ethylcarbamothioyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(ethylcarbamothioyl)amino]benzoate has 2 hydrogen bond donor(s) and 3 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-[(ethylcarbamothioyl)amino]benzoate?
The CAS number of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate is 19340-42-2.
What is the molecular formula of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate?
The molecular formula of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate is C12H16N2O2S.
What is the molecular weight of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate?
The molecular weight of Ethyl 4-[(ethylcarbamothioyl)amino]benzoate is 252.09 g/mol.
Where can I buy Ethyl 4-[(ethylcarbamothioyl)amino]benzoate?
You can request a quote for Ethyl 4-[(ethylcarbamothioyl)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-[(ethylcarbamothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(ethylcarbamothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.