6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
TL;DR: 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one (CAS 300591-41-7) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-(3-nitrophenyl)-3H-isoindol-1-one
Also Known As: BAS 00430907, 6,7-dimethoxy-2-(3-nitrophenyl)isoindolin-1-one, 6,7-dimethoxy-2-(3-nitrophenyl)-3H-isoindol-1-one, 6,7-Dimethoxy-2-(3-nitro-phenyl)-2,3-dihydro-isoindol-1-one, 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.7724 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 803.05273 |
Chemical Identifiers
| CAS Number | 300591-41-7 |
|---|---|
| SMILES | COC1=C(C2=C(CN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])C=C1)OC |
Product Overview
6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one (CAS 300591-41-7), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: 6,7-dimethoxy-2-(3-nitrophenyl)-3H-isoindol-1-one.
Chemical Property Profile of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
Property Insights of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one
The XLogP value of 2.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one has 0 hydrogen bond donor(s) and 5 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 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
The CAS number of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one is 300591-41-7.
What is the molecular formula of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
The molecular formula of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one is C16H14N2O5.
What is the molecular weight of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
The molecular weight of 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one is 314.09 g/mol.
Where can I buy 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
You can request a quote for 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-2-(3-nitrophenyl)-2,3-dihydro-1H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.