Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide
TL;DR: Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide (CAS 470687-41-3) is a chemical compound with molecular formula C22H33IN2O4 and molecular weight 516.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate iodide
Also Known As: dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide, 1-Ethyl-5,6-bis(methoxycarbonyl)-2-methyl-3-octyl-1H-benzimidazol-3-ium iodide, Dimethyl 3-ethyl-2-methyl-1-octyl-benzoimidazole-5,6-dicarboxylate Iodide, 1-ethyl-5,6-bis(methoxycarbonyl)-2-methyl-3-octyl-1H-benzo[d]imidazol-3-ium iodide, dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate iodide
| Molecular Formula | C22H33IN2O4 |
|---|---|
| Molecular Weight | 516.15 g/mol |
| LogP | 1.19482 |
| Topological Polar Surface Area | 61.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 516.1485 |
| Heavy Atoms | 29 |
| Complexity | 845.18524 |
Chemical Identifiers
| CAS Number | 470687-41-3 |
|---|---|
| SMILES | CCCCCCCC[N+]1=C(N(C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C.[I-] |
Product Overview
Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide (CAS 470687-41-3), with molecular formula C22H33IN2O4 and molecular weight 516.15 g/mol. IUPAC: dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate iodide.
Chemical Property Profile of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide
Property Insights of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide
The XLogP value of 1.19482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide. The TPSA of 61.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide. Following Lipinski's Rule of Five, Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide?
The CAS number of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide is 470687-41-3.
What is the molecular formula of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide?
The molecular formula of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide is C22H33IN2O4.
What is the molecular weight of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide?
The molecular weight of Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide is 516.15 g/mol.
Where can I buy Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide?
You can request a quote for Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate;iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.