TL;DR: 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1) (CAS 119585-26-1) is a chemical compound with molecular formula C32H52ClNO2 and molecular weight 517.36865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-(dimethylamino)-2-naphthalen-1-yloctyl] dodecanoate;hydrochloride
Also Known As: SR 45029 A, Dodecanoic acid, 8-(dimethylamino)-2-(1-naphthalenyl)octyl ester, hydrochloride, [8-(dimethylamino)-2-naphthalen-1-yloctyl] dodecanoate hydrochloride, 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1)
| Molecular Formula | C32H52ClNO2 |
| Molecular Weight | 517.36865 g/mol |
| XLogP | 9.3214 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 517.36865 Da |
| Heavy Atoms | 36 |
| Complexity | 520.0 |
| SMILES | CCCCCCCCCCCC(=O)OCC(CCCCCCN(C)C)C1=CC=CC2=CC=CC=C21.Cl |
| InChIKey | FYBQNOOKZYIRAI-UHFFFAOYSA-N |
The XLogP value of 9.3214 indicates that 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--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, 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1) is 119585-26-1.
The molecular formula of 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1) is C32H52ClNO2.
The molecular weight of 8-(Dimethylamino)-2-(naphthalen-1-yl)octyl dodecanoate--hydrogen chloride (1/1) is 517.36865 g/mol.
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