2-(4-Nitrophenyl)isoindolin-1-imine
TL;DR: 2-(4-Nitrophenyl)isoindolin-1-imine (CAS 97166-80-8) is a chemical compound with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-3H-isoindol-1-imine
Also Known As: 2-(4-nitrophenyl)isoindolin-1-imine, 2-{4-nitrophenyl}-1-iminoisoindoline, 2-(4-nitrophenyl)-3H-isoindol-1-imine, 2,3-Dihydro-2-(4-nitrophenyl)-1H-isoindol-1-imine, AE-848/32612030
| Molecular Formula | C14H11N3O2 |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.94037 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.08513 |
| Heavy Atoms | 19 |
| Complexity | 664.64624 |
Chemical Identifiers
| CAS Number | 97166-80-8 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=N)N1C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)isoindolin-1-imine (CAS 97166-80-8), with molecular formula C14H11N3O2 and molecular weight 253.09 g/mol. IUPAC: 2-(4-nitrophenyl)-3H-isoindol-1-imine.
Chemical Property Profile of 2-(4-Nitrophenyl)isoindolin-1-imine
Property Insights of 2-(4-Nitrophenyl)isoindolin-1-imine
The XLogP value of 2.94037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)isoindolin-1-imine. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)isoindolin-1-imine. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)isoindolin-1-imine 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 2-(4-Nitrophenyl)isoindolin-1-imine?
The CAS number of 2-(4-Nitrophenyl)isoindolin-1-imine is 97166-80-8.
What is the molecular formula of 2-(4-Nitrophenyl)isoindolin-1-imine?
The molecular formula of 2-(4-Nitrophenyl)isoindolin-1-imine is C14H11N3O2.
What is the molecular weight of 2-(4-Nitrophenyl)isoindolin-1-imine?
The molecular weight of 2-(4-Nitrophenyl)isoindolin-1-imine is 253.09 g/mol.
Where can I buy 2-(4-Nitrophenyl)isoindolin-1-imine?
You can request a quote for 2-(4-Nitrophenyl)isoindolin-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)isoindolin-1-imine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)isoindolin-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.