TL;DR: Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester (CAS 26479-97-0) is a chemical compound with molecular formula C28H40N2O4 and molecular weight 468.2988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[2-(N-ethyl-3-methylanilino)ethyl] hexanedioate
Also Known As: bis[2-[ethyl amino]ethyl]adipate, Bis(2-(ethyl(3-methylphenyl)amino)ethyl) adipate, bis[2-(N-ethyl-3-methylanilino)ethyl] hexanedioate, Hexanedioic acid, bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester, Hexanedioic acid, bis[2-[ethyl(3-methylphenyl)amino]ethyl] ester
| Molecular Formula | C28H40N2O4 |
| Molecular Weight | 468.2988 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 468.2988 Da |
| Heavy Atoms | 34 |
| Complexity | 535.0 |
| SMILES | CCN(CCOC(=O)CCCCC(=O)OCCN(CC)C1=CC=CC(=C1)C)C2=CC=CC(=C2)C |
| InChIKey | GSGOXDRESSXNBM-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester is 26479-97-0.
The molecular formula of Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester is C28H40N2O4.
The molecular weight of Hexanedioic acid, 1,6-bis(2-(ethyl(3-methylphenyl)amino)ethyl) ester is 468.2988 g/mol.
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