2-(2-Phenylethylamino)ethyl 3-oxobutanoate
TL;DR: 2-(2-Phenylethylamino)ethyl 3-oxobutanoate (CAS 54527-65-0) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethylamino)ethyl 3-oxobutanoate
Also Known As: 2-(Benzylmethylamino)ethyl acetoacetate, Nicardipine Impurity N2, 2-(2-phenylethylamino)ethyl 3-oxobutanoate, 2-(phenethylamino)ethyl 3-oxobutanoate, 2-[(2-PHENYLETHYL)AMINO]ETHYL 3-OXOBUTANOATE
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 1.341 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 375.8853 |
Chemical Identifiers
| CAS Number | 54527-65-0 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCNCCC1=CC=CC=C1 |
Product Overview
2-(2-Phenylethylamino)ethyl 3-oxobutanoate (CAS 54527-65-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: 2-(2-phenylethylamino)ethyl 3-oxobutanoate.
Chemical Property Profile of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate
Property Insights of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate
The XLogP value of 1.341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Phenylethylamino)ethyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(2-Phenylethylamino)ethyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Phenylethylamino)ethyl 3-oxobutanoate 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-(2-Phenylethylamino)ethyl 3-oxobutanoate?
The CAS number of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate is 54527-65-0.
What is the molecular formula of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate?
The molecular formula of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate is C14H19NO3.
What is the molecular weight of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate?
The molecular weight of 2-(2-Phenylethylamino)ethyl 3-oxobutanoate is 249.14 g/mol.
Where can I buy 2-(2-Phenylethylamino)ethyl 3-oxobutanoate?
You can request a quote for 2-(2-Phenylethylamino)ethyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Phenylethylamino)ethyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Phenylethylamino)ethyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.