1H-Indene, 5-nitro-
TL;DR: 1H-Indene, 5-nitro- (CAS 41734-55-8) 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.
5-nitro-1H-indene
Also Known As: 5-Nitro-1H-indene, 5-Nitroindene, 1H-Indene, 5-nitro-, 5-Nitro-inden, Indene, 5-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 | 41734-55-8 |
|---|---|
| SMILES | C1C=CC2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | OHNKSVVCUPOUDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene, 5-nitro- (CAS 41734-55-8), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 5-nitro-1H-indene.
Chemical Property Profile of 1H-Indene, 5-nitro-
Property Insights of 1H-Indene, 5-nitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene, 5-nitro-. With a topological polar surface area (TPSA) of 45.8 Ų, 1H-Indene, 5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indene, 5-nitro- 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 1H-Indene, 5-nitro-?
The CAS number of 1H-Indene, 5-nitro- is 41734-55-8.
What is the molecular formula of 1H-Indene, 5-nitro-?
The molecular formula of 1H-Indene, 5-nitro- is C9H7NO2.
What is the molecular weight of 1H-Indene, 5-nitro-?
The molecular weight of 1H-Indene, 5-nitro- is 161.05 g/mol.
Where can I buy 1H-Indene, 5-nitro-?
You can request a quote for 1H-Indene, 5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene, 5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.