1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate
TL;DR: 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate (CAS 67032-35-3) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl] benzoate
Also Known As: beta-Benzoyloxy-beta-3,4-dimethoxyphenylethyl dimethylamine, 1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate, BENZOIC ACID, 1-(3,4-DIMETHOXYPHENYL)-2-(DIMETHYLAMINO)ETHYL ESTER, 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl=benzoate, [1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl] benzoate
| Molecular Formula | C19H23NO4 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.16272 |
| Heavy Atoms | 24 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 67032-35-3 |
|---|---|
| SMILES | CN(C)CC(C1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC=CC=C2 |
| InChIKey | PWQJKNJUEZPPKO-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate (CAS 67032-35-3), with molecular formula C19H23NO4 and molecular weight 329.16 g/mol. IUPAC: [1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl] benzoate.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate
Property Insights of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate
The XLogP value of 3.3 indicates that 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate has 0 hydrogen bond donor(s) and 5 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 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate?
The CAS number of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate is 67032-35-3.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate?
The molecular formula of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate is C19H23NO4.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate?
The molecular weight of 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate is 329.16 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate?
You can request a quote for 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)-2-(dimethylamino)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.