![3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole structure](/static/products/538/5381-75-9.png)
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
TL;DR: 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole (CAS 5381-75-9) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
Also Known As: J1.986.926A, 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole, 7,8,9,10-Tetrahydro-3-nitro-6H-azepino[1,2-a]benzimidazol, 5-nitro-1,8-diazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.6709 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 588.6934 |
Chemical Identifiers
| CAS Number | 5381-75-9 |
|---|---|
| SMILES | C1CCC2=NC3=C(N2CC1)C=CC(=C3)[N+](=O)[O-] |
Product Overview
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole (CAS 5381-75-9), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole.
Chemical Property Profile of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
Property Insights of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
The XLogP value of 2.6709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole. Following Lipinski's Rule of Five, 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole has 0 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 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole?
The CAS number of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole is 5381-75-9.
What is the molecular formula of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole?
The molecular formula of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole is C12H13N3O2.
What is the molecular weight of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole?
The molecular weight of 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole is 231.10 g/mol.
Where can I buy 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole?
You can request a quote for 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.