TL;DR: Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester (CAS 63917-75-9) is a chemical compound with molecular formula C20H34N2O3 and molecular weight 350.25696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(dibutylamino)ethoxy]propyl 4-aminobenzoate
Also Known As: 3-(beta-(Dibutylamino)ethoxy)propyl p-aminobenzoate, 3-[2-(dibutylamino)ethoxy]propyl 4-aminobenzoate, BENZOIC ACID, p-AMINO-, 3-(beta-(DIBUTYLAMINO)ETHOXY)PROPYL ESTER, 3-[beta-(Dibutylamino)ethoxy]propyl=p-aminobenzoate, 1-Propanol, 3-[2-(dibutylamino)ethoxy]-, 4-aminobenzoate (ester)
| Molecular Formula | C20H34N2O3 |
| Molecular Weight | 350.25696 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 350.25696 Da |
| Heavy Atoms | 25 |
| Complexity | 323.0 |
| SMILES | CCCCN(CCCC)CCOCCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | VLNZLRGVZZUCPQ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester is 63917-75-9.
The molecular formula of Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester is C20H34N2O3.
The molecular weight of Benzoic acid, p-amino-, 3-(beta-(dibutylamino)ethoxy)propyl ester is 350.25696 g/mol.
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