TL;DR: Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride (CAS 119585-22-7) is a chemical compound with molecular formula C29H46ClNO2 and molecular weight 475.32172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(dimethylamino)-2-naphthalen-1-ylpentyl] dodecanoate;hydrochloride
Also Known As: SR 44700 A, Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride, [5-(dimethylamino)-2-naphthalen-1-ylpentyl] dodecanoate hydrochloride, 5-(Dimethylamino)-2-(naphthalen-1-yl)pentyl dodecanoate--hydrogen chloride (1/1)
| Molecular Formula | C29H46ClNO2 |
| Molecular Weight | 475.32172 g/mol |
| XLogP | 8.1511 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 475.32172 Da |
| Heavy Atoms | 33 |
| Complexity | 478.0 |
| SMILES | CCCCCCCCCCCC(=O)OCC(CCCN(C)C)C1=CC=CC2=CC=CC=C21.Cl |
| InChIKey | ITKBGIWSBHVNCJ-UHFFFAOYSA-N |
The XLogP value of 8.1511 indicates that Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride is 119585-22-7.
The molecular formula of Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride is C29H46ClNO2.
The molecular weight of Dodecanoic acid, 5-(dimethylamino)-2-(1-naphthalenyl)pentyl ester, hydrochloride is 475.32172 g/mol.
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