1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole
TL;DR: 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole (CAS 68019-68-1) is a chemical compound with molecular formula C11H10BrN3O3 and molecular weight 310.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromo-4-methoxyphenyl)methyl]-4-nitroimidazole
Also Known As: BAS 03281060, 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole, 1-[(3-bromo-4-methoxyphenyl)methyl]-4-nitroimidazole, AB00081540-01, 1-(3-Bromo-4-methoxy-benzyl)-4-nitro-1H-imidazole
| Molecular Formula | C11H10BrN3O3 |
|---|---|
| Molecular Weight | 310.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.99054 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 68019-68-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-])Br |
| InChIKey | PZALNEJRDKECSQ-UHFFFAOYSA-N |
Product Overview
1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole (CAS 68019-68-1), with molecular formula C11H10BrN3O3 and molecular weight 310.99 g/mol. IUPAC: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-nitroimidazole.
Chemical Property Profile of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole
Property Insights of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole. Following Lipinski's Rule of Five, 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole has 0 hydrogen bond donor(s) and 4 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 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole?
The CAS number of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole is 68019-68-1.
What is the molecular formula of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole?
The molecular formula of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole is C11H10BrN3O3.
What is the molecular weight of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole?
The molecular weight of 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole is 310.99 g/mol.
Where can I buy 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole?
You can request a quote for 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-bromo-4-methoxybenzyl)-4-nitro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.