TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- (CAS 63977-99-1) is a chemical compound with molecular formula C20H22Cl2N2 and molecular weight 360.116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(4-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
Also Known As: 3-(p,p'-Dichlorodiphenyl)methyl-8-methyl-3,8-diazabicyclo(3.2.1)octane, 3-[bis(4-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane, 3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(p,p'-DICHLORODIPHENYL)METHYL-8-METHYL-, 3-[Bis methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane, 3,8-Diazabicyclo[3.2.1]octane, 3-[bis(4-chlorophenyl)methyl]-8-methyl-
| Molecular Formula | C20H22Cl2N2 |
| Molecular Weight | 360.116 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.116 Da |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
| SMILES | CN1C2CCC1CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
| InChIKey | XNGVYJWKLCIAOT-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- is 63977-99-1.
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- is C20H22Cl2N2.
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 3-(p,p'-dichlorodiphenyl)methyl-8-methyl- is 360.116 g/mol.
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