1-Nitro-4-(tert-pentyl)benzene
TL;DR: 1-Nitro-4-(tert-pentyl)benzene (CAS 6284-98-6) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylbutan-2-yl)-4-nitrobenzene
Also Known As: 1-Nitro-4-(tert-pentyl)benzene, p-t-amyl-nitrobenzene radical, p-t-amyl-nitro-benzene, 1- -4-nitro-benzene, p-nitro-tert-amylbenzene
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6284-98-6 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | LLLHRFJRKDQEIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(tert-pentyl)benzene (CAS 6284-98-6), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 1-(2-methylbutan-2-yl)-4-nitrobenzene.
Chemical Property Profile of 1-Nitro-4-(tert-pentyl)benzene
Property Insights of 1-Nitro-4-(tert-pentyl)benzene
The XLogP value of 4.4 indicates that 1-Nitro-4-(tert-pentyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-4-(tert-pentyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(tert-pentyl)benzene has 0 hydrogen bond donor(s) and 2 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-(tert-pentyl)benzene?
The CAS number of 1-Nitro-4-(tert-pentyl)benzene is 6284-98-6.
What is the molecular formula of 1-Nitro-4-(tert-pentyl)benzene?
The molecular formula of 1-Nitro-4-(tert-pentyl)benzene is C11H15NO2.
What is the molecular weight of 1-Nitro-4-(tert-pentyl)benzene?
The molecular weight of 1-Nitro-4-(tert-pentyl)benzene is 193.11 g/mol.
Where can I buy 1-Nitro-4-(tert-pentyl)benzene?
You can request a quote for 1-Nitro-4-(tert-pentyl)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-(tert-pentyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(tert-pentyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.