TL;DR: 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol) (CAS 59917-57-6) is a chemical compound with molecular formula C25H40N4O2 and molecular weight 428.31512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3,5-bis[(dimethylamino)methyl]-2-hydroxyphenyl]methyl]-4,6-bis[(dimethylamino)methyl]phenol
Also Known As: 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol), 2,2'-methylenebis{4,6-bis[(dimethylamino)methyl]phenol}, 2,2'-Methylenebis[4,6-bis[(dimethylamino)methyl]phenol, 2,2'-METHYLENEBIS[4,6-BIS[(DIMETHYLAMINO)METHYL]PHENOL], 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol
| Molecular Formula | C25H40N4O2 |
| Molecular Weight | 428.31512 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.31512 Da |
| Heavy Atoms | 31 |
| Complexity | 470.0 |
| SMILES | CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CC2=C(C(=CC(=C2)CN(C)C)CN(C)C)O |
| InChIKey | AVNDZZHKCFPIKB-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol). With a topological polar surface area (TPSA) of 53.4 Ų, 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol) is 59917-57-6.
The molecular formula of 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol) is C25H40N4O2.
The molecular weight of 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol) is 428.31512 g/mol.
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