4-Nitroindan
TL;DR: 4-Nitroindan (CAS 39322-46-8) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,3-dihydro-1H-indene
Also Known As: 4-Nitroindan, 4-nitro-2,3-dihydro-1H-indene, 4-nitroindane, 4-Nitro-indan, 2-Deoxy-D-arabinose
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 39322-46-8 |
|---|---|
| SMILES | C1CC2=C(C1)C(=CC=C2)[N+](=O)[O-] |
| InChIKey | ZQABKMBXKCJTPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitroindan (CAS 39322-46-8), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 4-nitro-2,3-dihydro-1H-indene.
Chemical Property Profile of 4-Nitroindan
Property Insights of 4-Nitroindan
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroindan. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitroindan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitroindan 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 4-Nitroindan?
The CAS number of 4-Nitroindan is 39322-46-8.
What is the molecular formula of 4-Nitroindan?
The molecular formula of 4-Nitroindan is C9H9NO2.
What is the molecular weight of 4-Nitroindan?
The molecular weight of 4-Nitroindan is 163.06 g/mol.
Where can I buy 4-Nitroindan?
You can request a quote for 4-Nitroindan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroindan?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroindan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.