TL;DR: Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) (CAS 129320-10-1) is a chemical compound with molecular formula C24H45NO6 and molecular weight 443.32468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;2-(dimethylamino)ethyl hexadecanoate
Also Known As: 2-(Dimethylamino)ethyl hexadecanoate (Z)-2-butenedioate (1:1), Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid;2-(dimethylamino)ethyl hexadecanoate, (E)-but-2-enedioic acid; 2-dimethylaminoethyl hexadecanoate, 2-(DIMETHYLAMINO)ETHYL HEXADECANOATE; FUMARIC ACID
| Molecular Formula | C24H45NO6 |
| Molecular Weight | 443.32468 g/mol |
| XLogP | 5.2843 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 443.32468 Da |
| Heavy Atoms | 31 |
| Complexity | 373.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCN(C)C.C(=C/C(=O)O)\C(=O)O |
| InChIKey | QPENYGQYDUNXCD-WLHGVMLRSA-N |
The XLogP value of 5.2843 indicates that Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is 129320-10-1.
The molecular formula of Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is C24H45NO6.
The molecular weight of Hexadecanoic acid, 2-(dimethylamino)ethyl ester, (Z)-2-butenedioate (1:1) is 443.32468 g/mol.
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