2-(3-Acetylanilino)-2-oxoethyl benzoate
TL;DR: 2-(3-Acetylanilino)-2-oxoethyl benzoate (CAS 389835-69-2) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-acetylanilino)-2-oxoethyl] benzoate
Also Known As: 2-(3-acetylanilino)-2-oxoethyl benzoate, [2-(3-acetylanilino)-2-oxoethyl] benzoate, 2-((3-acetylphenyl)amino)-2-oxoethyl benzoate, 2-[(3-acetylphenyl)amino]-2-oxoethyl benzoate, AN-698/42111246
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.6847 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 694.81494 |
Chemical Identifiers
| CAS Number | 389835-69-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2 |
Product Overview
2-(3-Acetylanilino)-2-oxoethyl benzoate (CAS 389835-69-2), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: [2-(3-acetylanilino)-2-oxoethyl] benzoate.
Chemical Property Profile of 2-(3-Acetylanilino)-2-oxoethyl benzoate
Property Insights of 2-(3-Acetylanilino)-2-oxoethyl benzoate
The XLogP value of 2.6847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Acetylanilino)-2-oxoethyl benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Acetylanilino)-2-oxoethyl benzoate. Following Lipinski's Rule of Five, 2-(3-Acetylanilino)-2-oxoethyl benzoate has 1 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 2-(3-Acetylanilino)-2-oxoethyl benzoate?
The CAS number of 2-(3-Acetylanilino)-2-oxoethyl benzoate is 389835-69-2.
What is the molecular formula of 2-(3-Acetylanilino)-2-oxoethyl benzoate?
The molecular formula of 2-(3-Acetylanilino)-2-oxoethyl benzoate is C17H15NO4.
What is the molecular weight of 2-(3-Acetylanilino)-2-oxoethyl benzoate?
The molecular weight of 2-(3-Acetylanilino)-2-oxoethyl benzoate is 297.10 g/mol.
Where can I buy 2-(3-Acetylanilino)-2-oxoethyl benzoate?
You can request a quote for 2-(3-Acetylanilino)-2-oxoethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Acetylanilino)-2-oxoethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Acetylanilino)-2-oxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.