1-(2,2-Dimethylpropyl)-4-nitrobenzene
TL;DR: 1-(2,2-Dimethylpropyl)-4-nitrobenzene (CAS 26110-96-3) 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-(2,2-dimethylpropyl)-4-nitrobenzene
Also Known As: 4-Nitro-1-neopentylbenzene, 1-(2,2-dimethylpropyl)-4-nitrobenzene, Benzene, 1-(2,2-dimethylpropyl)-4-nitro-, 1-(2,2-dimethylpropyl)-4-nitro-benzene, InChI=1/C11H15NO2/c1-11(2,3)8-9-4-6-10(7-5-9)12(13)14/h4-7H,8H2,1-3H
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 3.1834 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 322.13593 |
Chemical Identifiers
| CAS Number | 26110-96-3 |
|---|---|
| SMILES | CC(C)(C)CC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
1-(2,2-Dimethylpropyl)-4-nitrobenzene (CAS 26110-96-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 1-(2,2-dimethylpropyl)-4-nitrobenzene.
Chemical Property Profile of 1-(2,2-Dimethylpropyl)-4-nitrobenzene
Property Insights of 1-(2,2-Dimethylpropyl)-4-nitrobenzene
The XLogP value of 3.1834 indicates that 1-(2,2-Dimethylpropyl)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(2,2-Dimethylpropyl)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,2-Dimethylpropyl)-4-nitrobenzene 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-(2,2-Dimethylpropyl)-4-nitrobenzene?
The CAS number of 1-(2,2-Dimethylpropyl)-4-nitrobenzene is 26110-96-3.
What is the molecular formula of 1-(2,2-Dimethylpropyl)-4-nitrobenzene?
The molecular formula of 1-(2,2-Dimethylpropyl)-4-nitrobenzene is C11H15NO2.
What is the molecular weight of 1-(2,2-Dimethylpropyl)-4-nitrobenzene?
The molecular weight of 1-(2,2-Dimethylpropyl)-4-nitrobenzene is 193.11 g/mol.
Where can I buy 1-(2,2-Dimethylpropyl)-4-nitrobenzene?
You can request a quote for 1-(2,2-Dimethylpropyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dimethylpropyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dimethylpropyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.