Propyl 4-(propanoylcarbamothioylamino)benzoate
TL;DR: Propyl 4-(propanoylcarbamothioylamino)benzoate (CAS 430444-17-0) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 4-(propanoylcarbamothioylamino)benzoate
Also Known As: propyl 4-(propanoylcarbamothioylamino)benzoate, propyl 4-(3-propionylthioureido)benzoate, propyl 4-{[(propionylamino)carbothioyl]amino}benzoate, propyl 4-[(propanoylcarbamothioyl)amino]benzoate, propyl 4-{[(propanoylamino)thioxomethyl]amino}benzoate
Technical Specifications
| Molecular Formula | C14H18N2O3S |
| Molecular Weight | 294.10382 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.10382 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC |
| InChIKey | KFFADBOKCFPRHO-UHFFFAOYSA-N |
Chemical Property Profile of Propyl 4-(propanoylcarbamothioylamino)benzoate
Property Insights of Propyl 4-(propanoylcarbamothioylamino)benzoate
The XLogP value of 3.1 indicates that Propyl 4-(propanoylcarbamothioylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-(propanoylcarbamothioylamino)benzoate. Following Lipinski's Rule of Five, Propyl 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
What is the CAS number of Propyl 4-(propanoylcarbamothioylamino)benzoate?
The CAS number of Propyl 4-(propanoylcarbamothioylamino)benzoate is 430444-17-0.
What is the molecular formula of Propyl 4-(propanoylcarbamothioylamino)benzoate?
The molecular formula of Propyl 4-(propanoylcarbamothioylamino)benzoate is C14H18N2O3S.
What is the molecular weight of Propyl 4-(propanoylcarbamothioylamino)benzoate?
The molecular weight of Propyl 4-(propanoylcarbamothioylamino)benzoate is 294.10382 g/mol.
Where can I buy Propyl 4-(propanoylcarbamothioylamino)benzoate?
You can request a quote for Propyl 4-(propanoylcarbamothioylamino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl 4-(propanoylcarbamothioylamino)benzoate?
Yes, CoreyChem provides custom synthesis services for Propyl 4-(propanoylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.