![2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride structure](/static/products/4648/464877-60-9.webp)
2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride
TL;DR: 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride (CAS 464877-60-9) is a chemical compound with molecular formula C26H32BrClN2O2 and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(4-bromophenyl)-3-methylbenzimidazol-3-ium-1-yl]acetate chloride
Also Known As: 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride, (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(4-bromophenyl)-3-methylbenzimidazol-3-ium-1-yl]acetate chloride, (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(4-bromophenyl)-3-methylbenzimidazol-3-ium-1-yl]acetate;chloride, 2-(4-bromophenyl)-1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-3-methyl-1H-3,1-benzimidazol-3-ium chloride, 2-(4-Bromophenyl)-3-methyl-1-(2-[[5-methyl-2-(propan-2-yl)cyclohexyl]oxy]-2-oxoethyl)-1H-1,3-benzodiazol-3-ium chloride
| Molecular Formula | C26H32BrClN2O2 |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 2.9033 |
| Topological Polar Surface Area | 35.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.13354 |
| Heavy Atoms | 32 |
| Complexity | 1077.3705 |
Chemical Identifiers
| CAS Number | 464877-60-9 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CN2C3=CC=CC=C3[N+](=C2C4=CC=C(C=C4)Br)C)C(C)C.[Cl-] |
Product Overview
2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride (CAS 464877-60-9), with molecular formula C26H32BrClN2O2 and molecular weight 518.13 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(4-bromophenyl)-3-methylbenzimidazol-3-ium-1-yl]acetate chloride.
Chemical Property Profile of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride
Property Insights of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride
The XLogP value of 2.9033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride. With a topological polar surface area (TPSA) of 35.11 Ų, 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride?
The CAS number of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride is 464877-60-9.
What is the molecular formula of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride?
The molecular formula of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride is C26H32BrClN2O2.
What is the molecular weight of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride?
The molecular weight of 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride is 518.13 g/mol.
Where can I buy 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride?
You can request a quote for 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-1-(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-3-methyl-1h-benzo[d]imidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.