Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide
TL;DR: Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide (CAS 2788-79-6) is a chemical compound with molecular formula C15H21IN2O2 and molecular weight 388.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide
Also Known As: ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide, 1H-Benzimidazolium, 5-(ethoxycarbonyl)-1,3-diethyl-2-methyl-, iodide (1:1), Ethyl 1,3-diethyl-2-methyl-benzoimidazole-5-carboxylate Iodide, ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide, 5-(ethoxycarbonyl)-1,3-diethyl-2-methyl-1H-3,1-benzimidazol-3-ium iodide
| Molecular Formula | C15H21IN2O2 |
|---|---|
| Molecular Weight | 388.06 g/mol |
| LogP | -0.54228 |
| Topological Polar Surface Area | 35.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.0648 |
| Heavy Atoms | 20 |
| Complexity | 619.8513 |
Chemical Identifiers
| CAS Number | 2788-79-6 |
|---|---|
| SMILES | CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C.[I-] |
Product Overview
Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide (CAS 2788-79-6), with molecular formula C15H21IN2O2 and molecular weight 388.06 g/mol. IUPAC: ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide.
Chemical Property Profile of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide
Property Insights of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide
The XLogP value of -0.54228 indicates that Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.11 Ų, Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide?
The CAS number of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide is 2788-79-6.
What is the molecular formula of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide?
The molecular formula of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide is C15H21IN2O2.
What is the molecular weight of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide?
The molecular weight of Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide is 388.06 g/mol.
Where can I buy Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide?
You can request a quote for Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate;iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.