TL;DR: Ochrindole A (CAS 157414-83-0) is a chemical compound with molecular formula C29H28N2O3 and molecular weight 452.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(1H-indol-3-yl)-3,6-dimethoxy-4-(3-methylbut-2-enyl)phenol
Also Known As: ochrindole A, 2,5-bis(1H-indol-3-yl)-3,6-dimethoxy-4-(3-methylbut-2-enyl)phenol, 2,5-bis(1H-indol-3-yl)-3,6-dimethoxy-4-(3-methylbut-2-en-1-yl)phenol, 2,5-di(1H-indol-3-yl)-3,6-dimethoxy-4-(3-methylbut-2-en-1-yl)phenol, 2,5-Dimethoxy-3,6-bis(1H-indol-3-yl)-4-(3-methyl-2-butenyl)phenol
| Molecular Formula | C29H28N2O3 |
| Molecular Weight | 452.21 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.21 Da |
| Heavy Atoms | 34 |
| Complexity | 709.0 |
| SMILES | CC(=CCC1=C(C(=C(C(=C1OC)C2=CNC3=CC=CC=C32)O)OC)C4=CNC5=CC=CC=C54)C |
| InChIKey | YVQFFNCNPFQQKW-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that Ochrindole A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ochrindole A. Following Lipinski's Rule of Five, Ochrindole A has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ochrindole A is 157414-83-0.
The molecular formula of Ochrindole A is C29H28N2O3.
The molecular weight of Ochrindole A is 452.21 g/mol.
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