![5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] structure](/static/products/1488/148899-14-3.webp)
5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]
TL;DR: 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] (CAS 148899-14-3) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]
Also Known As: 5-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane], 5-Nitrospiro[benzo[d][1,3]dioxole-2,1'-cyclopentane], 6-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane], Spiro[1,3-benzodioxole-2,1'-cyclopentane], 5-nitro-, 5-Nitro-spiro[1,3-benzodioxole-2,1'-cyclopentane]
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.0688 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.0688 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| SMILES | C1CCC2(C1)OC3=C(O2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | ZCRQRXNOUOCURO-UHFFFAOYSA-N |
Chemical Property Profile of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]
Property Insights of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]. Following Lipinski's Rule of Five, 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]?
The CAS number of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] is 148899-14-3.
What is the molecular formula of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]?
The molecular formula of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] is C11H11NO4.
What is the molecular weight of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]?
The molecular weight of 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] is 221.0688 g/mol.
Where can I buy 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]?
You can request a quote for 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]?
Yes, CoreyChem provides custom synthesis services for 5-Nitrospiro[1,3-benzodioxole-2,1'-cyclopentane] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.