2-(3-methyl-3-nitrobutyl)-1H-benzimidazole
TL;DR: 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole (CAS 27112-76-1) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-3-nitrobutyl)-1H-benzimidazole
Also Known As: 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole, 2-(3-methyl-3-nitrobutyl)-1H-benzo[d]imidazole
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 2.5508 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 512.42926 |
Chemical Identifiers
| CAS Number | 27112-76-1 |
|---|---|
| SMILES | CC(C)(CCC1=NC2=CC=CC=C2N1)[N+](=O)[O-] |
Product Overview
2-(3-methyl-3-nitrobutyl)-1H-benzimidazole (CAS 27112-76-1), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole.
Chemical Property Profile of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole
Property Insights of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole
The XLogP value of 2.5508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 3 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 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole?
The CAS number of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole is 27112-76-1.
What is the molecular formula of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole?
The molecular formula of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole is C12H15N3O2.
What is the molecular weight of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole?
The molecular weight of 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole is 233.12 g/mol.
Where can I buy 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole?
You can request a quote for 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-3-nitrobutyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.