TL;DR: Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate (CAS 100311-06-6) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
Also Known As: alpha-(2-(Furylmethyl)amino-1-methylethyl)benzhydrol maleate, 1,1-Diphenyl-2-methyl-3-(2-(furyl)methyl)aminopropanol maleate, Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate, (Z)-but-2-enedioic acid,3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol, (Z)-but-2-enedioic acid; 3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
| Molecular Formula | C25H27NO6 |
| Molecular Weight | 437.18384 g/mol |
| XLogP | 3.6532 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 437.18384 Da |
| Heavy Atoms | 32 |
| Complexity | 462.0 |
| SMILES | CC(CNCC1=CC=CO1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | UKLYOVDVWAEZMP-BTJKTKAUSA-N |
The XLogP value of 3.6532 indicates that Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate. Following Lipinski's Rule of Five, Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate is 100311-06-6.
The molecular formula of Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate is C25H27NO6.
The molecular weight of Benzhydrol, alpha-(2-(furylmethyl)amino-1-methylethyl)-, maleate is 437.18384 g/mol.
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