TL;DR: Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- (CAS 156742-45-9) is a chemical compound with molecular formula C23H22BNO2 and molecular weight 355.17435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[anthracen-9-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
Also Known As: (2-(((Anthracen-9-ylmethyl)(methyl)amino)methyl)phenyl)boronic acid, [2-({[(ANTHRACEN-9-YL)METHYL](METHYL)AMINO}METHYL)PHENYL]BORONIC ACID, 2-(9-Anthrylmethylmethylaminomethyl)phenylboranic acid, Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]-, 2-[9-Anthrylmethyl(methyl)aminomethyl]phenylboronic acid
| Molecular Formula | C23H22BNO2 |
| Molecular Weight | 355.17435 g/mol |
| XLogP | 3.3048 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.17435 Da |
| Heavy Atoms | 27 |
| Complexity | 451.0 |
| SMILES | B(C1=CC=CC=C1CN(C)CC2=C3C=CC=CC3=CC4=CC=CC=C42)(O)O |
| InChIKey | WINOYNXPYWZOTE-UHFFFAOYSA-N |
The XLogP value of 3.3048 indicates that Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- is 156742-45-9.
The molecular formula of Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- is C23H22BNO2.
The molecular weight of Boronic acid, [2-[[(9-anthracenylmethyl)methylamino]methyl]phenyl]- is 355.17435 g/mol.
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