1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-
TL;DR: 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- (CAS 54648-07-6) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene
Also Known As: 1,3,3-Trimethyl-5(6)-nitro-1-(4-nitrophenyl)indane, J2.662.115A, 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-, 1,3,3-Trimethyl-5-nitro-1-(4-nitrophenyl)indan, 1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 54648-07-6 |
|---|---|
| SMILES | CC1(CC(C2=C1C=C(C=C2)[N+](=O)[O-])(C)C3=CC=C(C=C3)[N+](=O)[O-])C |
| InChIKey | SNODYNVSSVPIFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- (CAS 54648-07-6), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2H-indene.
Chemical Property Profile of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-
Property Insights of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-
The XLogP value of 5.3 indicates that 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-?
The CAS number of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- is 54648-07-6.
What is the molecular formula of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-?
The molecular formula of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- is C18H18N2O4.
What is the molecular weight of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-?
The molecular weight of 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- is 326.13 g/mol.
Where can I buy 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-?
You can request a quote for 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-5(or 6)-nitro-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.