1,3-dimethyl-2-hexylbenzimidazolium iodide
TL;DR: 1,3-dimethyl-2-hexylbenzimidazolium iodide (CAS 78484-03-4) is a chemical compound with molecular formula C24H31IN2O3 and molecular weight 522.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-hydroxy-3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one iodide
Also Known As: 1,3-dimethyl-2-hexylbenzimidazolium iodide, 4-Phenyl-1-(2-hydroxy-3-(2-oxo-1,2,3,4-tetrahydroquinolin-5-yloxy)propyl)-1-methylpiperidium I, Piperidinium, 1-(2-hydroxy-3-((1,2,3,4-tetrahydro-2-oxo-5-quinolinyl)oxy)propyl)-1-methyl-4-phenyl-, iodide, 1-(2-HYDROXY-3-((1,2,3,4-TETRAHYDRO-2-OXO-5-QUINOLINYL)OXY)PROPYL)-1-METHYL-4-PHENYLPIPERIDINIUM IODIDE, 4-phenyl-1-[2-hydroxy-3-(2-oxo-1,2,3,4-tetrahydroquinolin-5-yloxy)propyl]-1-methylpiperidiniumiodide
| Molecular Formula | C24H31IN2O3 |
|---|---|
| Molecular Weight | 522.14 g/mol |
| LogP | 0.3392 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.13794 |
| Heavy Atoms | 30 |
| Complexity | 850.7845 |
Chemical Identifiers
| CAS Number | 78484-03-4 |
|---|---|
| SMILES | C[N+]1(CCC(CC1)C2=CC=CC=C2)CC(COC3=CC=CC4=C3CCC(=O)N4)O.[I-] |
Product Overview
1,3-dimethyl-2-hexylbenzimidazolium iodide (CAS 78484-03-4), with molecular formula C24H31IN2O3 and molecular weight 522.14 g/mol. IUPAC: 5-[2-hydroxy-3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one iodide.
Chemical Property Profile of 1,3-dimethyl-2-hexylbenzimidazolium iodide
Property Insights of 1,3-dimethyl-2-hexylbenzimidazolium iodide
The XLogP value of 0.3392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-2-hexylbenzimidazolium iodide. With a topological polar surface area (TPSA) of 58.56 Ų, 1,3-dimethyl-2-hexylbenzimidazolium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-2-hexylbenzimidazolium iodide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-dimethyl-2-hexylbenzimidazolium iodide?
The CAS number of 1,3-dimethyl-2-hexylbenzimidazolium iodide is 78484-03-4.
What is the molecular formula of 1,3-dimethyl-2-hexylbenzimidazolium iodide?
The molecular formula of 1,3-dimethyl-2-hexylbenzimidazolium iodide is C24H31IN2O3.
What is the molecular weight of 1,3-dimethyl-2-hexylbenzimidazolium iodide?
The molecular weight of 1,3-dimethyl-2-hexylbenzimidazolium iodide is 522.14 g/mol.
Where can I buy 1,3-dimethyl-2-hexylbenzimidazolium iodide?
You can request a quote for 1,3-dimethyl-2-hexylbenzimidazolium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-2-hexylbenzimidazolium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-2-hexylbenzimidazolium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.