1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane
TL;DR: 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane (CAS 86126-32-1) 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.
1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)-2H-indene
Also Known As: 1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)indane, 1,1,3-Trimethyl-5-nitro-3-(4-nitro-phenyl)-indan, 1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)-2H-indene, BIM-0013364.P001, J2.662.116J
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 4.4903 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 842.5973 |
Chemical Identifiers
| CAS Number | 86126-32-1 |
|---|---|
| SMILES | CC1(CC(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane (CAS 86126-32-1), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)-2H-indene.
Chemical Property Profile of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane
Property Insights of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane
The XLogP value of 4.4903 indicates that 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane. Following Lipinski's Rule of Five, 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane 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 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane?
The CAS number of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane is 86126-32-1.
What is the molecular formula of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane?
The molecular formula of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane is C18H18N2O4.
What is the molecular weight of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane?
The molecular weight of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane is 326.13 g/mol.
Where can I buy 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane?
You can request a quote for 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.