TL;DR: Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- (CAS 15542-21-9) is a chemical compound with molecular formula C22H32ClNO2 and molecular weight 377.21216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2R,3R)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol;hydrochloride
Also Known As: Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo-, threo-p-(p-(2-(Diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)phenol hydrochloride, 4-[(2R,3R)-3-[4-(2-diethylaminoethyloxy)phenyl]butan-2-yl]phenol hydrochloride, 4-[(2R,3R)-3-{4-[2-(Diethylamino)ethoxy]phenyl}butan-2-yl]phenol--hydrogen chloride (1/1)
| Molecular Formula | C22H32ClNO2 |
| Molecular Weight | 377.21216 g/mol |
| XLogP | 5.4418 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 377.21216 Da |
| Heavy Atoms | 26 |
| Complexity | 342.0 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)[C@H](C)[C@@H](C)C2=CC=C(C=C2)O.Cl |
| InChIKey | VTDZYIITFOYECW-JAXOOIEVSA-N |
The XLogP value of 5.4418 indicates that Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- is 15542-21-9.
The molecular formula of Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- is C22H32ClNO2.
The molecular weight of Phenol, p-(p-(2-(diethylamino)ethoxy)-alpha,beta-dimethylphenethyl)-, hydrochloride, threo- is 377.21216 g/mol.
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