2-(Propylcarbamoyl)phenyl acetate
TL;DR: 2-(Propylcarbamoyl)phenyl acetate (CAS 100391-16-0) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(propylcarbamoyl)phenyl] acetate
Also Known As: TimTec1_003219, 2-(propylcarbamoyl)phenyl acetate, 2-acetoxy-benzoic acid propylamide, [2-(propylcarbamoyl)phenyl] acetate, 2-(N-propylcarbamoyl)phenyl acetate
Technical Specifications
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | CCCNC(=O)C1=CC=CC=C1OC(=O)C |
| InChIKey | HTEPLUGIKABCSF-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Propylcarbamoyl)phenyl acetate
Property Insights of 2-(Propylcarbamoyl)phenyl acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Propylcarbamoyl)phenyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(Propylcarbamoyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Propylcarbamoyl)phenyl acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Propylcarbamoyl)phenyl acetate?
The CAS number of 2-(Propylcarbamoyl)phenyl acetate is 100391-16-0.
What is the molecular formula of 2-(Propylcarbamoyl)phenyl acetate?
The molecular formula of 2-(Propylcarbamoyl)phenyl acetate is C12H15NO3.
What is the molecular weight of 2-(Propylcarbamoyl)phenyl acetate?
The molecular weight of 2-(Propylcarbamoyl)phenyl acetate is 221.1052 g/mol.
Where can I buy 2-(Propylcarbamoyl)phenyl acetate?
You can request a quote for 2-(Propylcarbamoyl)phenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Propylcarbamoyl)phenyl acetate?
Yes, CoreyChem provides custom synthesis services for 2-(Propylcarbamoyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.