![5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide structure](/static/products/4734/4734-12-7.webp)
5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide
TL;DR: 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide (CAS 4734-12-7) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-3-oxidospiro[benzimidazol-1-ium-2,1'-cyclopentane] 1-oxide
Also Known As: 5-nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide, BAS 11770446, J3.659.596E, 5-nitro-3-oxidospiro[benzimidazol-1-ium-2,1'-cyclopentane] 1-oxide, 5-Nitrospiro[benzimidazole-2,1-cyclopentane]1,3-dioxide
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 2.5933 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 551.21936 |
Chemical Identifiers
| CAS Number | 4734-12-7 |
|---|---|
| SMILES | C1CCC2(C1)N(C3=C([N+]2=O)C=CC(=C3)[N+](=O)[O-])[O-] |
Product Overview
5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide (CAS 4734-12-7), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: 5-nitro-3-oxidospiro[benzimidazol-1-ium-2,1'-cyclopentane] 1-oxide.
Chemical Property Profile of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide
Property Insights of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide
The XLogP value of 2.5933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide. Following Lipinski's Rule of Five, 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide has 0 hydrogen bond donor(s) and 5 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 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide?
The CAS number of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide is 4734-12-7.
What is the molecular formula of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide?
The molecular formula of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide is C11H11N3O4.
What is the molecular weight of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide?
The molecular weight of 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide is 249.07 g/mol.
Where can I buy 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide?
You can request a quote for 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrospiro[benzimidazole-2,1'-cyclopentane]1,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.