2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate
TL;DR: 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate (CAS 110246-42-9) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(diethylamino)-2-phenylethyl] 2-ethoxybenzoate
Also Known As: 4-13-00-01836 (Beilstein Handbook Reference), Benzoic acid, o-ethoxy-, beta-(diethylamino)phenethyl ester, beta-(Diethylamino)phenethyl alcohol o-ethoxybenzoate (ester), Phenethyl alcohol, beta-(diethylamino)-, o-ethoxybenzoate (ester), 2-(DIETHYLAMINO)-2-PHENYLETHYL 2-ETHOXYBENZOATE
Technical Specifications
| Molecular Formula | C21H27NO3 |
| Molecular Weight | 341.1991 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 341.1991 Da |
| Heavy Atoms | 25 |
| Complexity | 377.0 |
| SMILES | CCN(CC)C(COC(=O)C1=CC=CC=C1OCC)C2=CC=CC=C2 |
| InChIKey | YONBIZGBBKCVOA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate
Property Insights of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate
The XLogP value of 4.4 indicates that 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate?
The CAS number of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate is 110246-42-9.
What is the molecular formula of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate?
The molecular formula of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate is C21H27NO3.
What is the molecular weight of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate?
The molecular weight of 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate is 341.1991 g/mol.
Where can I buy 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate?
You can request a quote for 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 2-(Diethylamino)-2-phenylethyl 2-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.