TL;DR: BHAP der (CAS 136816-96-1) is a chemical compound with molecular formula C20H23N5O2 and molecular weight 365.18518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(5-hydroxy-1H-indol-2-yl)methanone
Also Known As: BHAP der, Piperazine 1Pyrid 4Indolyl deriv., 5- or 6-Substituted Indole BHAP analogue 3, Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-((5-hydroxy-1H-indol-2-yl)carbonyl)-, 1-(3-(Ethylamino)-2-pyridinyl)-4-((5-hydroxy-2-indolyl)carbonyl)piperazine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H23N5O2 |
| Molecular Weight | 365.18518 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 84.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.18518 Da |
| Heavy Atoms | 27 |
| Complexity | 511.0 |
| SMILES | CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)O |
| InChIKey | XUPVEUROLPQTGK-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BHAP der. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BHAP der. Following Lipinski's Rule of Five, BHAP der has 3 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 BHAP der is 136816-96-1.
The molecular formula of BHAP der is C20H23N5O2.
The molecular weight of BHAP der is 365.18518 g/mol.
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