Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)
TL;DR: Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) (CAS 16051-52-8) is a chemical compound with molecular formula C20H34I2N2O4 and molecular weight 620.0608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[3-[4-[3-(trimethylazaniumyl)propoxycarbonyl]benzoyl]oxypropyl]azanium diiodide
Also Known As: PK 97, I.S. 1561, Bis-dimetilaminopropilestere dell' acido tereftalico bis-iodometilato [Italian], (3-Hydroxypropyl)trimethylammonium iodide, terephtalate (2:1), Ammonium, (3-hydroxypropyl)trimethyl-, iodide diester with terephthalic acid
Technical Specifications
| Molecular Formula | C20H34I2N2O4 |
| Molecular Weight | 620.0608 g/mol |
| XLogP | -3.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 620.0608 Da |
| Heavy Atoms | 28 |
| Complexity | 402.0 |
| SMILES | C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | JSJYAKUHKPGKHQ-UHFFFAOYSA-L |
Chemical Property Profile of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)
Property Insights of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)
The XLogP value of -3.8 indicates that Ammonium, (3-hydroxypropyl)trimethyl-, 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, Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-hydroxypropyl)trimethyl-, 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 Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)?
The CAS number of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) is 16051-52-8.
What is the molecular formula of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)?
The molecular formula of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) is C20H34I2N2O4.
What is the molecular weight of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)?
The molecular weight of Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) is 620.0608 g/mol.
Where can I buy Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)?
You can request a quote for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1)?
Yes, CoreyChem provides custom synthesis services for Ammonium, (3-hydroxypropyl)trimethyl-, iodide, terephthalate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.