TL;DR: 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- (CAS 30121-15-4) is a chemical compound with molecular formula C22H29NO and molecular weight 323.2249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexanal
Also Known As: 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)-, 2-(1-naphthyl)-2-[2-(pyrrolidin-1-yl)ethyl]hexanal, 2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexanal, 1-Pyrrolidinebutanal, alpha-butyl-alpha-1-naphthalenyl-, alpha-Butyl-alpha-(2-pyrrolidinoethyl)-1-naphthaleneacetaldehyde
| Molecular Formula | C22H29NO |
| Molecular Weight | 323.2249 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.2249 Da |
| Heavy Atoms | 24 |
| Complexity | 389.0 |
| SMILES | CCCCC(CCN1CCCC1)(C=O)C2=CC=CC3=CC=CC=C32 |
| InChIKey | XIMOEGPVAXZFHV-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- is 30121-15-4.
The molecular formula of 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- is C22H29NO.
The molecular weight of 1-Naphthaleneacetaldehyde, alpha-butyl-alpha-(2-pyrrolidinoethyl)- is 323.2249 g/mol.
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