![1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide structure](/static/products/4698/469890-33-3.webp)
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide
TL;DR: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide (CAS 469890-33-3) is a chemical compound with molecular formula C31H38BrN3O2 and molecular weight 563.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone;hydrobromide
Also Known As: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide, 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethan-1-one hydrobromide, 1-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethan-1-onehydrobromide, 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone hydrobromide
| Molecular Formula | C31H38BrN3O2 |
|---|---|
| Molecular Weight | 563.21 g/mol |
| LogP | 7.04039 |
| Topological Polar Surface Area | 71.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 563.2147 |
| Heavy Atoms | 37 |
| Complexity | 1461.9662 |
Chemical Identifiers
| CAS Number | 469890-33-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C.Br |
Product Overview
1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide (CAS 469890-33-3), with molecular formula C31H38BrN3O2 and molecular weight 563.21 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanone;hydrobromide.
Chemical Property Profile of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide
Property Insights of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide
The XLogP value of 7.04039 indicates that 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide. Following Lipinski's Rule of Five, 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide 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-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide?
The CAS number of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide is 469890-33-3.
What is the molecular formula of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide?
The molecular formula of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide is C31H38BrN3O2.
What is the molecular weight of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide?
The molecular weight of 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide is 563.21 g/mol.
Where can I buy 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide?
You can request a quote for 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(2-imino-3-(4-methylbenzyl)-2,3-dihydro-1h-benzo[d]imidazol-1-yl)ethanone hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.