Propyl 4-(acetylcarbamothioylamino)benzoate
TL;DR: Propyl 4-(acetylcarbamothioylamino)benzoate (CAS 791791-01-0) 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.
propyl 4-(acetylcarbamothioylamino)benzoate
Also Known As: propyl 4-(acetylcarbamothioylamino)benzoate, propyl 4-{[(acetylamino)carbothioyl]amino}benzoate, propyl 4-[(acetylcarbamothioyl)amino]benzoate, propyl 4-{[(acetylamino)carbonothioyl]amino}benzoate, AN-329/42504621
| 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 | 791791-01-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C |
Product Overview
Propyl 4-(acetylcarbamothioylamino)benzoate (CAS 791791-01-0), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: propyl 4-(acetylcarbamothioylamino)benzoate.
Chemical Property Profile of Propyl 4-(acetylcarbamothioylamino)benzoate
Property Insights of Propyl 4-(acetylcarbamothioylamino)benzoate
The XLogP value of 2.0863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 4-(acetylcarbamothioylamino)benzoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-(acetylcarbamothioylamino)benzoate. Following Lipinski's Rule of Five, Propyl 4-(acetylcarbamothioylamino)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 Propyl 4-(acetylcarbamothioylamino)benzoate?
The CAS number of Propyl 4-(acetylcarbamothioylamino)benzoate is 791791-01-0.
What is the molecular formula of Propyl 4-(acetylcarbamothioylamino)benzoate?
The molecular formula of Propyl 4-(acetylcarbamothioylamino)benzoate is C13H16N2O3S.
What is the molecular weight of Propyl 4-(acetylcarbamothioylamino)benzoate?
The molecular weight of Propyl 4-(acetylcarbamothioylamino)benzoate is 280.09 g/mol.
Where can I buy Propyl 4-(acetylcarbamothioylamino)benzoate?
You can request a quote for Propyl 4-(acetylcarbamothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-(acetylcarbamothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(acetylcarbamothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.