2-(Dimethylamino)-1-phenylethyl benzoate
TL;DR: 2-(Dimethylamino)-1-phenylethyl benzoate (CAS 25314-75-4) is a chemical compound with molecular formula C17H19NO2 and molecular weight 269.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-1-phenylethyl] benzoate
Also Known As: beta-Benzoyloxy-beta-phenylethyl dimethylamine, [2-(dimethylamino)-1-phenylethyl] benzoate, 2-(DIMETHYLAMINO)-1-PHENYLETHYL BENZOATE, alpha-[(Dimethylamino)methyl]benzyl=benzoate, 4-13-00-01803 (Beilstein Handbook Reference)
| Molecular Formula | C17H19NO2 |
|---|---|
| Molecular Weight | 269.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.14157 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 25314-75-4 |
|---|---|
| SMILES | CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | MRBQJRDPSKIRNL-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-1-phenylethyl benzoate (CAS 25314-75-4), with molecular formula C17H19NO2 and molecular weight 269.14 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] benzoate.
Chemical Property Profile of 2-(Dimethylamino)-1-phenylethyl benzoate
Property Insights of 2-(Dimethylamino)-1-phenylethyl benzoate
The XLogP value of 3.3 indicates that 2-(Dimethylamino)-1-phenylethyl benzoate 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-(Dimethylamino)-1-phenylethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylethyl benzoate 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-(Dimethylamino)-1-phenylethyl benzoate?
The CAS number of 2-(Dimethylamino)-1-phenylethyl benzoate is 25314-75-4.
What is the molecular formula of 2-(Dimethylamino)-1-phenylethyl benzoate?
The molecular formula of 2-(Dimethylamino)-1-phenylethyl benzoate is C17H19NO2.
What is the molecular weight of 2-(Dimethylamino)-1-phenylethyl benzoate?
The molecular weight of 2-(Dimethylamino)-1-phenylethyl benzoate is 269.14 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylethyl benzoate?
You can request a quote for 2-(Dimethylamino)-1-phenylethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-1-phenylethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-1-phenylethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.