Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester
TL;DR: Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester (CAS 15960-82-4) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,6-dimethylanilino)-3-oxopropanoate
Also Known As: ethyl 3-(2,6-dimethylanilino)-3-oxopropanoate, Ethyl 2-[(2,6-dimethylphenyl)carbamoyl]acetate, Propanoic acid, 3-[(2,6-dimethylphenyl)amino]-3-oxo-, ethyl ester, Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester, RefChem:374779
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.19514 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 406.4228 |
Chemical Identifiers
| CAS Number | 15960-82-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=C(C=CC=C1C)C |
Product Overview
Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester (CAS 15960-82-4), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 3-(2,6-dimethylanilino)-3-oxopropanoate.
Chemical Property Profile of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester
Property Insights of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester
The XLogP value of 2.19514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, 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-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester?
The CAS number of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester is 15960-82-4.
What is the molecular formula of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester?
The molecular formula of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester is C13H17NO3.
What is the molecular weight of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester?
The molecular weight of Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester is 235.12 g/mol.
Where can I buy Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester?
You can request a quote for Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, 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-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((2,6-dimethylphenyl)amino)-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.