TL;DR: 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde (CAS 155519-82-7) is a chemical compound with molecular formula C23H25NO2 and molecular weight 347.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-9H-carbazole-3-carbaldehyde
Also Known As: Mukoenine B, Clausenatine A, J1.167.984F, 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-9H-carbazole-3-carbaldehyde, 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde
| Molecular Formula | C23H25NO2 |
| Molecular Weight | 347.18854 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.18854 Da |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
| SMILES | CC(=CCC/C(=C/CC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)/C)C |
| InChIKey | HYKYGURKMDNXGG-LFIBNONCSA-N |
The XLogP value of 6.8 indicates that 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde is 155519-82-7.
The molecular formula of 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde is C23H25NO2.
The molecular weight of 1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-hydroxy-9H-carbazole-3-carboxaldehyde is 347.18854 g/mol.
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