1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-
TL;DR: 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- (CAS 101600-98-0) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitro-1-phenylethyl)indene-1,3-dione
Also Known As: 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-, 2-(2-nitro-1-phenylethyl)indene-1,3-dione, 1H-Indene-1,3(2H)-dione,2-(2-nitro-1-phenylethyl), 2-(2-Nitro-1-phenylethyl)-1H-indene-1,3(2H)-dione
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 101600-98-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C[N+](=O)[O-])C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | SMAFPFWGQFAKRT-UHFFFAOYSA-N |
Product Overview
1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- (CAS 101600-98-0), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: 2-(2-nitro-1-phenylethyl)indene-1,3-dione.
Chemical Property Profile of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-
Property Insights of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-. Following Lipinski's Rule of Five, 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- 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 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-?
The CAS number of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- is 101600-98-0.
What is the molecular formula of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-?
The molecular formula of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- is C17H13NO4.
What is the molecular weight of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-?
The molecular weight of 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- is 295.08 g/mol.
Where can I buy 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-?
You can request a quote for 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene-1,3(2H)-dione, 2-(2-nitro-1-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.