4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 1005281-32-2) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 4-methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 4-methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 2.60482 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 710.0974 |
Chemical Identifiers
| CAS Number | 1005281-32-2 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-] |
Product Overview
4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 1005281-32-2), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 4-methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 2.60482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-(4-methyl-3-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 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. Following Lipinski's Rule of Five, 4-Methyl-2-(4-methyl-3-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 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 1005281-32-2.
What is the molecular formula of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C16H16N2O4.
What is the molecular weight of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 300.11 g/mol.
Where can I buy 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 4-Methyl-2-(4-methyl-3-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 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(4-methyl-3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.