Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester
TL;DR: Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester (CAS 53341-66-5) 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.
ethyl 3-anilino-3-oxopropanoate
Also Known As: ethyl 3-anilino-3-oxopropanoate, Ethyl 3-oxo-3-(phenylamino)propanoate, ethyl 2-(phenylcarbamoyl)acetate, Edaravone impurity 47, Edaravone Impurity 10
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.5783 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 334.94608 |
Chemical Identifiers
| CAS Number | 53341-66-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC=CC=C1 |
Product Overview
Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester (CAS 53341-66-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 3-anilino-3-oxopropanoate.
Chemical Property Profile of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester
Property Insights of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester
The XLogP value of 1.5783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester 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 Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester?
The CAS number of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester is 53341-66-5.
What is the molecular formula of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester?
The molecular formula of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester is C11H13NO3.
What is the molecular weight of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester?
The molecular weight of Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester is 207.09 g/mol.
Where can I buy Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester?
You can request a quote for Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-oxo-3-(phenylamino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.