TL;DR: [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium (CAS 130929-57-6) is a chemical compound with molecular formula C26H52NO3+ and molecular weight 426.3947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(carboxymethyl)-4-oxohenicosyl]-trimethylazanium
Also Known As: [2-(carboxymethyl)-4-oxohenicosyl]-trimethylazanium|[2-(carboxymethyl)-4-oxo-henicosyl]-trimethyl-azanium|(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylacrylamide
| Molecular Formula | C26H52NO3+ |
| Molecular Weight | 426.3947 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 426.3947 Da |
| Heavy Atoms | 30 |
| Complexity | 428.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)CC(CC(=O)O)C[N+](C)(C)C |
| InChIKey | RQPGYEIGOQAPGW-UHFFFAOYSA-O |
The XLogP value of 8.1 indicates that [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium is 130929-57-6.
The molecular formula of [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium is C26H52NO3+.
The molecular weight of [2-(Carboxymethyl)-4-oxohenicosyl]-trimethylazanium is 426.3947 g/mol.
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