2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 43069-65-4) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BAS 00216088, 2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, AB00083103-01, 2-(4-Nitro-phenyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione, 2-(4-nitrophenyl)-4,7,3a,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.0504 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 594.566 |
Chemical Identifiers
| CAS Number | 43069-65-4 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 43069-65-4), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 2-(4-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 2.0504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione has 0 hydrogen bond donor(s) and 4 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)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 43069-65-4.
What is the molecular formula of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C14H12N2O4.
What is the molecular weight of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 272.08 g/mol.
Where can I buy 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione 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)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.