TL;DR: (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole (CAS 91487-11-5) is a chemical compound with molecular formula C21H18N2O2 and molecular weight 330.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-9H-pyrido[3,4-b]indole
Also Known As: (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole, 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-9H-beta-carboline, 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-9H-pyrido[3,4-b]indole
| Molecular Formula | C21H18N2O2 |
| Molecular Weight | 330.13684 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 47.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.13684 Da |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=NC=CC3=C2NC4=CC=CC=C34)OC |
| InChIKey | AUZVRTMJGUYBFC-VQHVLOKHSA-N |
The XLogP value of 4.6 indicates that (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole is 91487-11-5.
The molecular formula of (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole is C21H18N2O2.
The molecular weight of (E)-1-(3,4-dimethoxystyryl)-9H-pyrido[3,4-b]indole is 330.13684 g/mol.
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