1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one
TL;DR: 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one (CAS 1170-68-9) is a chemical compound with molecular formula C23H34I2N2O and molecular weight 608.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[4-[3-oxo-5-[4-(trimethylazaniumyl)phenyl]pentyl]phenyl]azanium diiodide
Also Known As: 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one diiodide, 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one, Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N,N-trimethyl-, diiodide, trimethyl-[4-[3-oxo-5-[4-(trimethylazaniumyl)phenyl]pentyl]phenyl]azanium;diiodide, 4,4'-(3-Oxopentane-1,5-diyl)bis(N,N,N-trimethylanilinium) diiodide
Technical Specifications
| Molecular Formula | C23H34I2N2O |
| Molecular Weight | 608.07605 g/mol |
| XLogP | -1.7775 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 608.07605 Da |
| Heavy Atoms | 28 |
| Complexity | 390.0 |
| SMILES | C[N+](C)(C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)C.[I-].[I-] |
| InChIKey | YBDXHOFDRHXLSR-UHFFFAOYSA-L |
Chemical Property Profile of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one
Property Insights of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one
The XLogP value of -1.7775 indicates that 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one?
The CAS number of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one is 1170-68-9.
What is the molecular formula of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one?
The molecular formula of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one is C23H34I2N2O.
What is the molecular weight of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one?
The molecular weight of 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one is 608.07605 g/mol.
Where can I buy 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one?
You can request a quote for 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one?
Yes, CoreyChem provides custom synthesis services for 1,5-Bis(4-trimethylammoniumphenyl)pentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.