2-(Acetylamino)ethyl benzoate
TL;DR: 2-(Acetylamino)ethyl benzoate (CAS 6951-53-7) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamidoethyl benzoate
Also Known As: 2-(acetylamino)ethyl benzoate, 2-acetamidoethyl benzoate, N-[2-(Benzoyloxy)ethyl]ethanimidic acid, AA-516/33241030
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 6951-53-7 |
|---|---|
| SMILES | CC(=O)NCCOC(=O)C1=CC=CC=C1 |
| InChIKey | YDPYYHCLYBOTMW-UHFFFAOYSA-N |
Product Overview
2-(Acetylamino)ethyl benzoate (CAS 6951-53-7), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 2-acetamidoethyl benzoate.
Chemical Property Profile of 2-(Acetylamino)ethyl benzoate
Property Insights of 2-(Acetylamino)ethyl benzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)ethyl benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(Acetylamino)ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetylamino)ethyl benzoate 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)ethyl benzoate?
The CAS number of 2-(Acetylamino)ethyl benzoate is 6951-53-7.
What is the molecular formula of 2-(Acetylamino)ethyl benzoate?
The molecular formula of 2-(Acetylamino)ethyl benzoate is C11H13NO3.
What is the molecular weight of 2-(Acetylamino)ethyl benzoate?
The molecular weight of 2-(Acetylamino)ethyl benzoate is 207.09 g/mol.
Where can I buy 2-(Acetylamino)ethyl benzoate?
You can request a quote for 2-(Acetylamino)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.