TL;DR: 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate (CAS 15154-04-8) is a chemical compound with molecular formula C19H32N2O2 and molecular weight 320.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(3-methylbutyl)amino]ethyl 4-aminobenzoate
Also Known As: 2-[bis(3-methylbutyl)amino]ethyl 4-aminobenzoate, 4-Amino-benzoic acid-(2-diisopentylamino-ethyl ester), Ethanol, 2-[bis(3-methylbutyl)amino]-, 1-(4-aminobenzoate), p-Aminobenzoic acid 2-(diisopentylamino)ethyl ester hydrochloride, EAQ5HC7M27
| Molecular Formula | C19H32N2O2 |
| Molecular Weight | 320.24637 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 320.24637 Da |
| Heavy Atoms | 23 |
| Complexity | 311.0 |
| SMILES | CC(C)CCN(CCC(C)C)CCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | KICZJAOCQBYSFN-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate is 15154-04-8.
The molecular formula of 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate is C19H32N2O2.
The molecular weight of 2-[Bis(3-methylbutyl)amino]ethyl 4-aminobenzoate is 320.24637 g/mol.
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