TL;DR: BHAP der (CAS 136817-66-8) is a chemical compound with molecular formula C22H25N5O2 and molecular weight 391.20084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indole-6-carbaldehyde
Also Known As: BHAP der, Piperazine 1Pyrid 4Indolyl deriv., 5- or 6-Substituted Indole BHAP analogue 14, Piperazine, 1-((6-formyl-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-, 1-((6-Formyl-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H25N5O2 |
| Molecular Weight | 391.20084 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.20084 Da |
| Heavy Atoms | 29 |
| Complexity | 578.0 |
| SMILES | CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=C(C=C4)C=O |
| InChIKey | UZTKGCXQSQAXHT-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BHAP der. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BHAP der. Following Lipinski's Rule of Five, BHAP der has 2 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 136817-66-8.
The molecular formula of BHAP der is C22H25N5O2.
The molecular weight of BHAP der is 391.20084 g/mol.
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