5-Nitroisoindoline
TL;DR: 5-Nitroisoindoline (CAS 46053-72-9) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2,3-dihydro-1H-isoindole
Also Known As: 5-NITROISOINDOLINE, 5-Nitro-2,3-dihydro-1H-isoindole, 5-nitro-isoindoline, 1H-Isoindole, 2,3-dihydro-5-nitro-, 5-Nitro-1,3-dihydro-2H-isoindole
| Molecular Formula | C8H8N2O2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.198 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.05858 |
| Heavy Atoms | 12 |
| Complexity | 335.82977 |
Chemical Identifiers
| CAS Number | 46053-72-9 |
|---|---|
| SMILES | C1C2=C(CN1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
5-Nitroisoindoline (CAS 46053-72-9), with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol. IUPAC: 5-nitro-2,3-dihydro-1H-isoindole.
Chemical Property Profile of 5-Nitroisoindoline
Property Insights of 5-Nitroisoindoline
The XLogP value of 1.198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitroisoindoline. With a topological polar surface area (TPSA) of 55.17 Ų, 5-Nitroisoindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitroisoindoline has 1 hydrogen bond donor(s) and 3 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-Nitroisoindoline?
The CAS number of 5-Nitroisoindoline is 46053-72-9.
What is the molecular formula of 5-Nitroisoindoline?
The molecular formula of 5-Nitroisoindoline is C8H8N2O2.
What is the molecular weight of 5-Nitroisoindoline?
The molecular weight of 5-Nitroisoindoline is 164.06 g/mol.
Where can I buy 5-Nitroisoindoline?
You can request a quote for 5-Nitroisoindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroisoindoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroisoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.