Ethyl 4-(propanoylcarbamothioylamino)benzoate
TL;DR: Ethyl 4-(propanoylcarbamothioylamino)benzoate (CAS 429649-49-0) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(propanoylcarbamothioylamino)benzoate
Also Known As: ethyl 4-(propanoylcarbamothioylamino)benzoate, ethyl 4-[(propanoylcarbamothioyl)amino]benzoate, ethyl 4-(3-propionylthioureido)benzoate, AB00111908-01, ethyl 4-{[(propionylamino)carbothioyl]amino}benzoate
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.0863 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 471.28162 |
Chemical Identifiers
| CAS Number | 429649-49-0 |
|---|---|
| SMILES | CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
Ethyl 4-(propanoylcarbamothioylamino)benzoate (CAS 429649-49-0), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: ethyl 4-(propanoylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-(propanoylcarbamothioylamino)benzoate
Property Insights of Ethyl 4-(propanoylcarbamothioylamino)benzoate
The XLogP value of 2.0863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(propanoylcarbamothioylamino)benzoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(propanoylcarbamothioylamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(propanoylcarbamothioylamino)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-(propanoylcarbamothioylamino)benzoate?
The CAS number of Ethyl 4-(propanoylcarbamothioylamino)benzoate is 429649-49-0.
What is the molecular formula of Ethyl 4-(propanoylcarbamothioylamino)benzoate?
The molecular formula of Ethyl 4-(propanoylcarbamothioylamino)benzoate is C13H16N2O3S.
What is the molecular weight of Ethyl 4-(propanoylcarbamothioylamino)benzoate?
The molecular weight of Ethyl 4-(propanoylcarbamothioylamino)benzoate is 280.09 g/mol.
Where can I buy Ethyl 4-(propanoylcarbamothioylamino)benzoate?
You can request a quote for Ethyl 4-(propanoylcarbamothioylamino)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-(propanoylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(propanoylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.