TL;DR: Pindolol-NBD (CAS 115910-09-3) is a chemical compound with molecular formula C21H24N6O5 and molecular weight 440.18082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1H-indol-4-yloxy)-3-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]propan-2-ol
Also Known As: Pindolol-NBD, 1-(1H-indol-4-yloxy)-3-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]propan-2-ol, 1-(1H-Indol-4-yloxy)-3-((2-methyl-2-((7-nitro-4-benzofurazanyl)amino)propyl)amino-2-propanol, 2-Propanol, 1-(1H-indol-4-yloxy)-3-((2-methyl-2-((7-nitro-4-benzofurazanyl)amino)propyl)amino-, 2-Propanol, 1-(1H-indol-4-yloxy)-3-((2-methyl-2-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)propyl)amino)-
| Molecular Formula | C21H24N6O5 |
| Molecular Weight | 440.18082 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.18082 Da |
| Heavy Atoms | 32 |
| Complexity | 634.0 |
| SMILES | CC(C)(CNCC(COC1=CC=CC2=C1C=CN2)O)NC3=CC=C(C4=NON=C34)[N+](=O)[O-] |
| InChIKey | HQIRPVWXZSEHFA-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pindolol-NBD. The TPSA of 154.0 Ų indicates high polarity, suggesting Pindolol-NBD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pindolol-NBD has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pindolol-NBD is 115910-09-3.
The molecular formula of Pindolol-NBD is C21H24N6O5.
The molecular weight of Pindolol-NBD is 440.18082 g/mol.
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