2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate
TL;DR: 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate (CAS 66827-75-6) 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)-1-phenylethyl] 4-methoxybenzoate
Also Known As: beta-Anisoyloxy-beta-phenylethyl dimethylamine, 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate, ANISIC ACID, (2-(DIMETHYLAMINO)-1-PHENYL)ETHYL ESTER, [2-(dimethylamino)-1-phenylethyl] 4-methoxybenzoate, Benzoic acid, 4-methoxy-, 2-(dimethylamino)-1-phenylethyl ester
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 66827-75-6 |
|---|---|
| SMILES | CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)OC |
| InChIKey | KKIMWASHOPFXCF-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate (CAS 66827-75-6), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] 4-methoxybenzoate.
Chemical Property Profile of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate
Property Insights of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate
The XLogP value of 3.3 indicates that 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate 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-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate 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
Frequently Asked Questions
What is the CAS number of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate?
The CAS number of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate is 66827-75-6.
What is the molecular formula of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate?
The molecular formula of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate is C18H21NO3.
What is the molecular weight of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate?
The molecular weight of 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate is 299.15 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate?
You can request a quote for 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate 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 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-1-phenylethyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.