Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester
TL;DR: Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester (CAS 67031-48-5) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-1-phenylethyl] 4-aminobenzoate
Also Known As: 2-1-phenylethyl=p-aminobenzoate, 2- -1-phenylethyl=p-aminobenzoate, beta-4-Aminobenzoyloxy-beta-phenylethyl dimethylamine, 2-(dimethylamino)-1-phenylethyl 4-aminobenzoate, 4-14-00-01145 (Beilstein Handbook Reference)
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 67031-48-5 |
|---|---|
| SMILES | CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N |
| InChIKey | CEKOPAVBIKRJKH-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester (CAS 67031-48-5), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] 4-aminobenzoate.
Chemical Property Profile of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester
Property Insights of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester. With a topological polar surface area (TPSA) of 55.6 Ų, Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester has 1 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 Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester?
The CAS number of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester is 67031-48-5.
What is the molecular formula of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester?
The molecular formula of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester is C17H20N2O2.
What is the molecular weight of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester?
The molecular weight of Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester is 284.15 g/mol.
Where can I buy Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester?
You can request a quote for Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-amino-, (2-(dimethylamino)-1-phenyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.