Hemicholinium 3 A-5
TL;DR: Hemicholinium 3 A-5 (CAS 105098-65-5) is a chemical compound with molecular formula C30H46I2N2O2 and molecular weight 720.16486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol diiodide
Also Known As: Hemicholinium 3 A-5, 1,1'-((1,1'-Biphenyl)-4,4'-diylbis(2-hydroxy-2,1-ethanediyl))bis(1,4-dimethylpiperidinium), Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI), 1,1'-[[1,1'-Biphenyl]-4,4'-diylbis(2-hydroxyethane-2,1-diyl)]bis(1,4-dimethylpiperidin-1-ium) diiodide, 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol diiodide
Technical Specifications
| Molecular Formula | C30H46I2N2O2 |
| Molecular Weight | 720.16486 g/mol |
| XLogP | -0.8186 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 720.16486 Da |
| Heavy Atoms | 36 |
| Complexity | 553.0 |
| SMILES | CC1CC[N+](CC1)(C)CC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C[N+]4(CCC(CC4)C)C)O)O.[I-].[I-] |
| InChIKey | XWBHHHNTKSWNRM-UHFFFAOYSA-L |
Product Description
Applications: Hemicholinium 3 A-5 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hemicholinium 3 A-5 (CAS 105098-65-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Hemicholinium 3 A-5 is a fine chemical identified by CAS number 105098-65-5 and the molecular formula C30H46I2N2O2 and a molecular weight of 720.16 g/mol. It is also known as Hemicholinium 3 A-5 and ACMC-20m7x5.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hemicholinium 3 A-5
Property Insights of Hemicholinium 3 A-5
The XLogP value of -0.8186 indicates that Hemicholinium 3 A-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, Hemicholinium 3 A-5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hemicholinium 3 A-5 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hemicholinium 3 A-5?
The CAS number of Hemicholinium 3 A-5 is 105098-65-5.
What is the molecular formula of Hemicholinium 3 A-5?
The molecular formula of Hemicholinium 3 A-5 is C30H46I2N2O2.
What is the molecular weight of Hemicholinium 3 A-5?
The molecular weight of Hemicholinium 3 A-5 is 720.16486 g/mol.
What are the applications of Hemicholinium 3 A-5?
Hemicholinium 3 A-5 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hemicholinium 3 A-5 (CAS 105098-65-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS,...
Where can I buy Hemicholinium 3 A-5?
You can request a quote for Hemicholinium 3 A-5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hemicholinium 3 A-5?
Yes, CoreyChem provides custom synthesis services for Hemicholinium 3 A-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.