2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione
TL;DR: 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione (CAS 62846-08-6) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-2-nitroindene-1,3-dione
Also Known As: 2-(4-methylphenyl)-2-nitroindene-1,3-dione, 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione, BIM-0016739.P001, 2-nitro-2-(p-tolyl)-1H-indene-1,3(2H)-dione
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.54622 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 742.1189 |
Chemical Identifiers
| CAS Number | 62846-08-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
Product Overview
2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione (CAS 62846-08-6), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 2-(4-methylphenyl)-2-nitroindene-1,3-dione.
Chemical Property Profile of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione
Property Insights of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione
The XLogP value of 2.54622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-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-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione?
The CAS number of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione is 62846-08-6.
What is the molecular formula of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione?
The molecular formula of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione is C16H11NO4.
What is the molecular weight of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione?
The molecular weight of 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione is 281.07 g/mol.
Where can I buy 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione?
You can request a quote for 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-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-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methylphenyl)-2-nitro-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.