![1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene structure](/static/products/4185/41854-80-2.webp)
1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene
TL;DR: 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene (CAS 41854-80-2) 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.
1-nitro-4-[4-(4-nitrophenyl)butyl]benzene
Also Known As: 1,2-Bis(4-nitrobenzyl)ethane, 1,2-Diphenylpropanon-hydrazon, 1,4-Bis(4-nitrophenyl)butane, 1-nitro-4-[4-(4-nitrophenyl)butyl]benzene, KST-1B5112
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 41854-80-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FBDUIKREOYVSJZ-UHFFFAOYSA-N |
Product Overview
1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene (CAS 41854-80-2), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 1-nitro-4-[4-(4-nitrophenyl)butyl]benzene.
Chemical Property Profile of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene
Property Insights of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene
The XLogP value of 4.9 indicates that 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene 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 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene. Following Lipinski's Rule of Five, 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene 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-Nitro-4-[4-(4-nitrophenyl)butyl]benzene?
The CAS number of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene is 41854-80-2.
What is the molecular formula of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene?
The molecular formula of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene is C16H16N2O4.
What is the molecular weight of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene?
The molecular weight of 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene is 300.11 g/mol.
Where can I buy 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene?
You can request a quote for 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-[4-(4-nitrophenyl)butyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.