TL;DR: Methylenemescaline trimer (CAS 125730-74-7) is a chemical compound with molecular formula C36H51N3O9 and molecular weight 669.36255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane
Also Known As: Methylenemescaline trimer, 1,3,5-Tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane, Hexahydrotriazine,1,3,5-tri[2-(3,4,5-trimethoxy)phenethyl], 1,3,5-Tris[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3,5-triazinane #, Hexahydrotriazine, 1,3,5-tri[2-(3,4,5-trimethoxy)phenethyl]-
| Molecular Formula | C36H51N3O9 |
| Molecular Weight | 669.36255 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 669.36255 Da |
| Heavy Atoms | 48 |
| Complexity | 728.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CCN2CN(CN(C2)CCC3=CC(=C(C(=C3)OC)OC)OC)CCC4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | MLVMVLNTAYSMMT-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that Methylenemescaline trimer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylenemescaline trimer. Following Lipinski's Rule of Five, Methylenemescaline trimer has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methylenemescaline trimer is 125730-74-7.
The molecular formula of Methylenemescaline trimer is C36H51N3O9.
The molecular weight of Methylenemescaline trimer is 669.36255 g/mol.
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