2-butyl-4-nitro-1H-benzimidazole
TL;DR: 2-butyl-4-nitro-1H-benzimidazole (CAS 101236-93-5) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-4-nitro-1H-benzimidazole
Also Known As: 1H-Benzimidazole, 2-butyl-7-nitro-, 2-butyl-4-nitro-1H-benzoimidazole
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 2.8137 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 518.9241 |
Chemical Identifiers
| CAS Number | 101236-93-5 |
|---|---|
| SMILES | CCCCC1=NC2=C(N1)C=CC=C2[N+](=O)[O-] |
Product Overview
2-butyl-4-nitro-1H-benzimidazole (CAS 101236-93-5), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 2-butyl-4-nitro-1H-benzimidazole.
Chemical Property Profile of 2-butyl-4-nitro-1H-benzimidazole
Property Insights of 2-butyl-4-nitro-1H-benzimidazole
The XLogP value of 2.8137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butyl-4-nitro-1H-benzimidazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butyl-4-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-butyl-4-nitro-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-butyl-4-nitro-1H-benzimidazole?
The CAS number of 2-butyl-4-nitro-1H-benzimidazole is 101236-93-5.
What is the molecular formula of 2-butyl-4-nitro-1H-benzimidazole?
The molecular formula of 2-butyl-4-nitro-1H-benzimidazole is C11H13N3O2.
What is the molecular weight of 2-butyl-4-nitro-1H-benzimidazole?
The molecular weight of 2-butyl-4-nitro-1H-benzimidazole is 219.10 g/mol.
Where can I buy 2-butyl-4-nitro-1H-benzimidazole?
You can request a quote for 2-butyl-4-nitro-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-butyl-4-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-4-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.