2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate
TL;DR: 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate (CAS 528-52-9) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2,3-diphenylpropanoate
Also Known As: Spasmadryl, 2,3-Diphenylpropionic acid 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl 2,3-diphenylpropionate, 2-diethylaminoethyl 2,3-diphenylpropanoate, 2-(DIETHYLAMINO)ETHYL 2,3-DIPHENYLPROPANOATE
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 528-52-9 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(CC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | ZPBUOZUUFHJROO-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate (CAS 528-52-9), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: 2-(diethylamino)ethyl 2,3-diphenylpropanoate.
Chemical Property Profile of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate
Property Insights of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate
The XLogP value of 4.5 indicates that 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate has 0 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-(Diethylamino)ethyl alpha-phenylbenzenepropanoate?
The CAS number of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate is 528-52-9.
What is the molecular formula of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate?
The molecular formula of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate is C21H27NO2.
What is the molecular weight of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate?
The molecular weight of 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate is 325.20 g/mol.
Where can I buy 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate?
You can request a quote for 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl alpha-phenylbenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.