TL;DR: 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine (CAS 118230-91-4) is a chemical compound with molecular formula C30H30N6O4 and molecular weight 538.23285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminoethyl)-7-[3-(2-aminoethyl)-2-[3-(2-aminoethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-4-yl]-1H-indole-4,5-dione
Also Known As: Tdo-HT, 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine, 3-(2-aminoethyl)-7-[3-(2-aminoethyl)-2-[3-(2-aminoethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-4-yl]-1H-indole-4,5-dione, (4,2':4',7''-Ter-1H-indole)-4'',5''-dione, 3,3',3''-tris(2-aminoethyl)-5,5'-dihydroxy-, 1~3~,2~3~,3~3~-Tris(2-aminoethyl)-1~5~,2~5~-dihydroxy-1~1~H,2~1~H,3~1~H-[1~4~,2~2~:2~4~,3~7~-terindole]-3~4~,3~5~-dione
| Molecular Formula | C30H30N6O4 |
| Molecular Weight | 538.23285 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.23285 Da |
| Heavy Atoms | 40 |
| Complexity | 993.0 |
| SMILES | C1=CC(=C(C2=C1NC=C2CCN)C3=C(C4=C(N3)C=CC(=C4C5=CC(=O)C(=O)C6=C5NC=C6CCN)O)CCN)O |
| InChIKey | CEMLZXOOHUQQHH-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine. The TPSA of 200.0 Ų indicates high polarity, suggesting 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine has 8 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine is 118230-91-4.
The molecular formula of 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine is C30H30N6O4.
The molecular weight of 4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine is 538.23285 g/mol.
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