2-cyclohexyl-5-nitro-1H-benzimidazole
TL;DR: 2-cyclohexyl-5-nitro-1H-benzimidazole (CAS 51759-50-3) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexyl-6-nitro-1H-benzimidazole
Also Known As: 2-cyclohexyl-5-nitro-1H-benzimidazole, 2-cyclohexyl-5-nitrobenzimidazole, 2-cyclohexyl-6-nitro-1H-benzimidazole, 2-Cyclohexyl-5-nitro-1H-benzoimidazole, BAS 00255254
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 51759-50-3 |
|---|---|
| SMILES | C1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | PLKPKIIZGCWKSF-UHFFFAOYSA-N |
Product Overview
2-cyclohexyl-5-nitro-1H-benzimidazole (CAS 51759-50-3), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 2-cyclohexyl-6-nitro-1H-benzimidazole.
Chemical Property Profile of 2-cyclohexyl-5-nitro-1H-benzimidazole
Property Insights of 2-cyclohexyl-5-nitro-1H-benzimidazole
The XLogP value of 4.0 indicates that 2-cyclohexyl-5-nitro-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyclohexyl-5-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-cyclohexyl-5-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-cyclohexyl-5-nitro-1H-benzimidazole?
The CAS number of 2-cyclohexyl-5-nitro-1H-benzimidazole is 51759-50-3.
What is the molecular formula of 2-cyclohexyl-5-nitro-1H-benzimidazole?
The molecular formula of 2-cyclohexyl-5-nitro-1H-benzimidazole is C13H15N3O2.
What is the molecular weight of 2-cyclohexyl-5-nitro-1H-benzimidazole?
The molecular weight of 2-cyclohexyl-5-nitro-1H-benzimidazole is 245.12 g/mol.
Where can I buy 2-cyclohexyl-5-nitro-1H-benzimidazole?
You can request a quote for 2-cyclohexyl-5-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-cyclohexyl-5-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-cyclohexyl-5-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.