TL;DR: Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) (CAS 63979-46-4) is a chemical compound with molecular formula C22H30ClNO2 and molecular weight 375.1965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate;hydrochloride
Also Known As: Pentanoic acid, 4-(dimethylamino)-2,2-diphenyl-, isopropyl ester, hydrochloride, isopropyl 4-(dimethylamino)-2,2-diphenylpentanoate hydrochloride(1:1), 4-Dimethylamino-2,2-diphenyl pentanoate, isopropyl ester, hydrochloride, propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate hydrochloride, Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1)
| Molecular Formula | C22H30ClNO2 |
| Molecular Weight | 375.1965 g/mol |
| XLogP | 4.69 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.1965 Da |
| Heavy Atoms | 26 |
| Complexity | 388.0 |
| SMILES | CC(C)OC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl |
| InChIKey | IOHJCOLHGRRFOD-UHFFFAOYSA-N |
The XLogP value of 4.69 indicates that Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) has 1 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 Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) is 63979-46-4.
The molecular formula of Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) is C22H30ClNO2.
The molecular weight of Propan-2-yl 4-(dimethylamino)-2,2-diphenylpentanoate--hydrogen chloride (1/1) is 375.1965 g/mol.
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