TL;DR: 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1) (CAS 63905-79-3) is a chemical compound with molecular formula C28H30ClNO2 and molecular weight 447.1965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-dinaphthalen-2-ylacetyl)oxyethyl-diethylazanium chloride
Also Known As: 2-(2,2-dinaphthalen-2-ylacetyl)oxyethyl-diethylazanium chloride, 2-Naphthaleneacetic acid, alpha-(2-naphthyl)-, 2-(diethylamino)ethyl ester, hydrochloride, alpha-(2-Naphthyl)-2-naphthaleneacetic acid 2-(diethylamino)ethyl ester hydrochloride, 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1), 2-Naphthaleneacetic acid, .alpha.-2-naphthalenyl-, 2-(diethylamino)ethyl ester, hydrochloride
| Molecular Formula | C28H30ClNO2 |
| Molecular Weight | 447.1965 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.1965 Da |
| Heavy Atoms | 32 |
| Complexity | 525.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C(C1=CC2=CC=CC=C2C=C1)C3=CC4=CC=CC=C4C=C3.[Cl-] |
| InChIKey | CNCOQPXJERKGEX-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--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 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1) is 63905-79-3.
The molecular formula of 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1) is C28H30ClNO2.
The molecular weight of 2-(Diethylamino)ethyl di(naphthalen-2-yl)acetate--hydrogen chloride (1/1) is 447.1965 g/mol.
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