2-(Acetylamino)-1-phenylethyl acetate
TL;DR: 2-(Acetylamino)-1-phenylethyl acetate (CAS 55044-72-9) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-1-phenylethyl) acetate
Also Known As: 2-(Acetylamino)-1-phenylethyl acetate, (2-acetamido-1-phenylethyl) acetate, n-[2-2-phenylethyl]acetamide, 2-acetamido-1-phenylethyl acetate, N-[2- -2-phenylethyl]acetamide
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 55044-72-9 |
|---|---|
| SMILES | CC(=O)NCC(C1=CC=CC=C1)OC(=O)C |
| InChIKey | IRBXSZWDAQBYFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetylamino)-1-phenylethyl acetate (CAS 55044-72-9), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: (2-acetamido-1-phenylethyl) acetate.
Chemical Property Profile of 2-(Acetylamino)-1-phenylethyl acetate
Property Insights of 2-(Acetylamino)-1-phenylethyl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-1-phenylethyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(Acetylamino)-1-phenylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetylamino)-1-phenylethyl 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
Frequently Asked Questions
What is the CAS number of 2-(Acetylamino)-1-phenylethyl acetate?
The CAS number of 2-(Acetylamino)-1-phenylethyl acetate is 55044-72-9.
What is the molecular formula of 2-(Acetylamino)-1-phenylethyl acetate?
The molecular formula of 2-(Acetylamino)-1-phenylethyl acetate is C12H15NO3.
What is the molecular weight of 2-(Acetylamino)-1-phenylethyl acetate?
The molecular weight of 2-(Acetylamino)-1-phenylethyl acetate is 221.11 g/mol.
Where can I buy 2-(Acetylamino)-1-phenylethyl acetate?
You can request a quote for 2-(Acetylamino)-1-phenylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-1-phenylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-1-phenylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.