![Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate structure](/static/products/4285/428504-14-7.webp)
Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate
TL;DR: Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate (CAS 428504-14-7) is a chemical compound with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(butan-2-ylcarbamothioylamino)benzoate
Also Known As: ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate, ethyl 4-(butan-2-ylcarbamothioylamino)benzoate, ethyl 4-(3-(sec-butyl)thioureido)benzoate, ethyl 4-({[(methylpropyl)amino]thioxomethyl}amino)benzoate, ETHYL 4-{[(SEC-BUTYLAMINO)CARBOTHIOYL]AMINO}BENZOATE
| Molecular Formula | C14H20N2O2S |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 2.9482 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.12454 |
| Heavy Atoms | 19 |
| Complexity | 431.57703 |
Chemical Identifiers
| CAS Number | 428504-14-7 |
|---|---|
| SMILES | CCC(C)NC(=S)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate (CAS 428504-14-7), with molecular formula C14H20N2O2S and molecular weight 280.12 g/mol. IUPAC: ethyl 4-(butan-2-ylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate
Property Insights of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate
The XLogP value of 2.9482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(butan-2-ylcarbamothioyl)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-[(butan-2-ylcarbamothioyl)amino]benzoate?
The CAS number of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate is 428504-14-7.
What is the molecular formula of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate?
The molecular formula of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate is C14H20N2O2S.
What is the molecular weight of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate?
The molecular weight of Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate is 280.12 g/mol.
Where can I buy Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate?
You can request a quote for Ethyl 4-[(butan-2-ylcarbamothioyl)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-[(butan-2-ylcarbamothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(butan-2-ylcarbamothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.