Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester
TL;DR: Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester (CAS 67049-54-1) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl] benzoate
Also Known As: 0-19-00-00336 (Beilstein Handbook Reference), beta-Benzoyloxy-beta-3,4-methylenedioxyphenylethyl dimethylamine, BENZOIC ACID, 2-(DIMETHYLAMINO)-1-(3,4-METHYLENEDIOXYPHENYL)ETHYL ESTER, 1-(2H-1,3-Benzodioxol-5-yl)-2-(dimethylamino)ethyl benzoate, [1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl] benzoate
Technical Specifications
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.1314 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1314 Da |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
| SMILES | CN(C)CC(C1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CC=C3 |
| InChIKey | CJKXQXAXUJARNR-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester
Property Insights of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester 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
What is the CAS number of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester?
The CAS number of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester is 67049-54-1.
What is the molecular formula of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester?
The molecular formula of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester is C18H19NO4.
What is the molecular weight of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester?
The molecular weight of Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester is 313.1314 g/mol.
Where can I buy Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester?
You can request a quote for Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(dimethylamino)-1-(3,4-methylenedioxyphenyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.