Choline, iodide, terephthalate (2:1)
TL;DR: Choline, iodide, terephthalate (2:1) (CAS 16051-54-0) is a chemical compound with molecular formula C18H30I2N2O4 and molecular weight 592.0295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[2-[4-[2-(trimethylazaniumyl)ethoxycarbonyl]benzoyl]oxyethyl]azanium diiodide
Also Known As: PK 107, Choline, iodide, terephthalate (2:1), I.S. 320, Ammonium, (2-hydroxyethyl)trimethyl-, iodide diester with terephthalic acid, Bis-dimetilaminoetilestere dell' acido tereftalico bis-iodometilato
Technical Specifications
| Molecular Formula | C18H30I2N2O4 |
| Molecular Weight | 592.0295 g/mol |
| XLogP | -4.5794 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 592.0295 Da |
| Heavy Atoms | 26 |
| Complexity | 376.0 |
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | HRLBNQDRKHERRB-UHFFFAOYSA-L |
Chemical Property Profile of Choline, iodide, terephthalate (2:1)
Property Insights of Choline, iodide, terephthalate (2:1)
The XLogP value of -4.5794 indicates that Choline, iodide, terephthalate (2:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Choline, iodide, terephthalate (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, iodide, terephthalate (2:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Choline, iodide, terephthalate (2:1)?
The CAS number of Choline, iodide, terephthalate (2:1) is 16051-54-0.
What is the molecular formula of Choline, iodide, terephthalate (2:1)?
The molecular formula of Choline, iodide, terephthalate (2:1) is C18H30I2N2O4.
What is the molecular weight of Choline, iodide, terephthalate (2:1)?
The molecular weight of Choline, iodide, terephthalate (2:1) is 592.0295 g/mol.
Where can I buy Choline, iodide, terephthalate (2:1)?
You can request a quote for Choline, iodide, terephthalate (2:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Choline, iodide, terephthalate (2:1)?
Yes, CoreyChem provides custom synthesis services for Choline, iodide, terephthalate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.