6-Nitroindene
TL;DR: 6-Nitroindene (CAS 75476-80-1) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-indene
Also Known As: 6-Nitroindene, Indene, 6-nitro-, 6-Nitro-1H-indene, 1H-Indene, 6-nitro-, 1H-Indene,6-nitro-
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 75476-80-1 |
|---|---|
| SMILES | C1C=CC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | UJHGOFSFBKXJNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitroindene (CAS 75476-80-1), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 6-nitro-1H-indene.
Chemical Property Profile of 6-Nitroindene
Property Insights of 6-Nitroindene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitroindene. With a topological polar surface area (TPSA) of 45.8 Ų, 6-Nitroindene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitroindene has 0 hydrogen bond donor(s) and 2 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 6-Nitroindene?
The CAS number of 6-Nitroindene is 75476-80-1.
What is the molecular formula of 6-Nitroindene?
The molecular formula of 6-Nitroindene is C9H7NO2.
What is the molecular weight of 6-Nitroindene?
The molecular weight of 6-Nitroindene is 161.05 g/mol.
Where can I buy 6-Nitroindene?
You can request a quote for 6-Nitroindene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitroindene?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitroindene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.