TL;DR: 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride (CAS 1052527-40-8) is a chemical compound with molecular formula C24H26ClN5O2 and molecular weight 451.1775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]piperazin-1-yl]ethanone;hydrochloride
Also Known As: 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride, 1-[4-[4-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenyl]piperazin-1-yl]ethanone hydrochloride
| Molecular Formula | C24H26ClN5O2 |
| Molecular Weight | 451.1775 g/mol |
| XLogP | 4.7723 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.1775 Da |
| Heavy Atoms | 32 |
| Complexity | 617.0 |
| SMILES | CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)OC5=CC=CC=C52.Cl |
| InChIKey | QAKDTHNABCJCEC-UHFFFAOYSA-N |
The XLogP value of 4.7723 indicates that 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride. Following Lipinski's Rule of Five, 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride is 1052527-40-8.
The molecular formula of 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride is C24H26ClN5O2.
The molecular weight of 1-(4-(4-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)amino)phenyl)piperazin-1-yl)ethanone hydrochloride is 451.1775 g/mol.
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