TL;DR: RefChem:234426 (CAS 15043-62-6) is a chemical compound with molecular formula C21H27ClN2O2 and molecular weight 374.17612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-phenylpiperidin-1-yl)propyl 4-aminobenzoate;hydrochloride
Also Known As: C21H26N2O2.ClH.1/2H2O, C21-H26-N2-O2.Cl-H.1/2H2-O, 1-(3-(4-Aminobenzoyloxy)propyl)-4-phenylpiperidine hydrochloride hemihydrate, 1-Piperidinepropanol, 4-phenyl-, p-aminobenzoate (ester), hydrochloride, hydrate (2:2:1), 4-Phenyl-1-piperidinepropanol p-aminobenzoate (ester) hydrochloride hydrate (2:2:1)
| Molecular Formula | C21H27ClN2O2 |
| Molecular Weight | 374.17612 g/mol |
| XLogP | 4.1171 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.17612 Da |
| Heavy Atoms | 26 |
| Complexity | 393.0 |
| SMILES | C1CN(CCC1C2=CC=CC=C2)CCCOC(=O)C3=CC=C(C=C3)N.Cl |
| InChIKey | ONRSRBICKMHZOI-UHFFFAOYSA-N |
The XLogP value of 4.1171 indicates that RefChem:234426 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, RefChem:234426 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:234426 has 2 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 RefChem:234426 is 15043-62-6.
The molecular formula of RefChem:234426 is C21H27ClN2O2.
The molecular weight of RefChem:234426 is 374.17612 g/mol.
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