1H-Benzimidazole, 6-nitro-, nitrate (1:1)
TL;DR: 1H-Benzimidazole, 6-nitro-, nitrate (1:1) (CAS 27896-84-0) is a chemical compound with molecular formula C7H6N4O5 and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nitric acid;6-nitro-1H-benzimidazole
Also Known As: 5-Nitrobenzimidazole Nitrate, 6-Nitrobenzimidazole nitrate, 5-Nitrobenzimidazole mononitrate, 5-Nitrobenzimidazole, nitrate, 5-Nitrobenzimidazolium nitrate
| Molecular Formula | C7H6N4O5 |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 1.12 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.03381 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 27896-84-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC=N2.[N+](=O)(O)[O-] |
| InChIKey | ZUZQXHSOEZUAIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzimidazole, 6-nitro-, nitrate (1:1) (CAS 27896-84-0), with molecular formula C7H6N4O5 and molecular weight 226.03 g/mol. IUPAC: nitric acid;6-nitro-1H-benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 6-nitro-, nitrate (1:1)
Property Insights of 1H-Benzimidazole, 6-nitro-, nitrate (1:1)
The XLogP value of 1.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 6-nitro-, nitrate (1:1). The TPSA of 141.0 Ų indicates high polarity, suggesting 1H-Benzimidazole, 6-nitro-, nitrate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Benzimidazole, 6-nitro-, nitrate (1:1) has 2 hydrogen bond donor(s) and 6 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 1H-Benzimidazole, 6-nitro-, nitrate (1:1)?
The CAS number of 1H-Benzimidazole, 6-nitro-, nitrate (1:1) is 27896-84-0.
What is the molecular formula of 1H-Benzimidazole, 6-nitro-, nitrate (1:1)?
The molecular formula of 1H-Benzimidazole, 6-nitro-, nitrate (1:1) is C7H6N4O5.
What is the molecular weight of 1H-Benzimidazole, 6-nitro-, nitrate (1:1)?
The molecular weight of 1H-Benzimidazole, 6-nitro-, nitrate (1:1) is 226.03 g/mol.
Where can I buy 1H-Benzimidazole, 6-nitro-, nitrate (1:1)?
You can request a quote for 1H-Benzimidazole, 6-nitro-, nitrate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 6-nitro-, nitrate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 6-nitro-, nitrate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.