2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
TL;DR: 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate (CAS 968-46-7) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzacine, Deanol benzilate, Amedine, Denaverine Impurity 2, 2-Dimethylaminoethyl Benzilate
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 968-46-7 |
|---|---|
| SMILES | CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | BUEPKUNNPRRSKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate (CAS 968-46-7), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
Property Insights of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate. With a topological polar surface area (TPSA) of 49.8 Ų, 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate 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-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
The CAS number of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is 968-46-7.
What is the molecular formula of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
The molecular formula of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is C18H21NO3.
What is the molecular weight of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
The molecular weight of 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate is 299.15 g/mol.
Where can I buy 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
You can request a quote for 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl alpha-hydroxy-alpha-phenylbenzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.