Iodinium-heterocycl-65 citrate
TL;DR: Iodinium-heterocycl-65 citrate (CAS 111950-71-1) is a chemical compound with molecular formula C23H27IN2O7 and molecular weight 570.0863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-carboxy-3,5-dihydroxy-5-oxopentanoate;5-N,5-N,13-N,13-N-tetramethyl-2-iodoniatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene-5,13-diamine
Also Known As: Iodinium-heterocycl-65 citrate, 3,6-dimethylaminodibenzopyriodonium Citrate, 3,6-Dimethamidodibenzopyriodonium citrate, I 65, I-65
Technical Specifications
| Molecular Formula | C23H27IN2O7 |
| Molecular Weight | 570.0863 g/mol |
| XLogP | -2.732 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 570.0863 Da |
| Heavy Atoms | 33 |
| Complexity | 541.0 |
| SMILES | CN(C)C1=CC2=C(CC3=C([I+]2)C=C(C=C3)N(C)C)C=C1.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | JFMDKKQZXOTGBW-UHFFFAOYSA-M |
Chemical Property Profile of Iodinium-heterocycl-65 citrate
Property Insights of Iodinium-heterocycl-65 citrate
The XLogP value of -2.732 indicates that Iodinium-heterocycl-65 citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Iodinium-heterocycl-65 citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iodinium-heterocycl-65 citrate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Iodinium-heterocycl-65 citrate?
The CAS number of Iodinium-heterocycl-65 citrate is 111950-71-1.
What is the molecular formula of Iodinium-heterocycl-65 citrate?
The molecular formula of Iodinium-heterocycl-65 citrate is C23H27IN2O7.
What is the molecular weight of Iodinium-heterocycl-65 citrate?
The molecular weight of Iodinium-heterocycl-65 citrate is 570.0863 g/mol.
Where can I buy Iodinium-heterocycl-65 citrate?
You can request a quote for Iodinium-heterocycl-65 citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iodinium-heterocycl-65 citrate?
Yes, CoreyChem provides custom synthesis services for Iodinium-heterocycl-65 citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.