1-tert-butyl-4-((E)-2-nitroethenyl)benzene
TL;DR: 1-tert-butyl-4-((E)-2-nitroethenyl)benzene (CAS 62248-86-6) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-[(E)-2-nitroethenyl]benzene
Also Known As: 1-tert-butyl-4-(2-nitroethenyl)benzene, p-tert-Butyl-beta-nitrostyrol, 1-tert-butyl-4-[(E)-2-nitroethenyl]benzene, 1-(2-nitroethenyl)-4-tert-butyl-benzene, 1-[(E)-2-Nitrovinyl]-4-tert-butylbenzene
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 3.2315 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 371.60376 |
Chemical Identifiers
| CAS Number | 62248-86-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C/[N+](=O)[O-] |
Product Overview
1-tert-butyl-4-((E)-2-nitroethenyl)benzene (CAS 62248-86-6), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 1-tert-butyl-4-[(E)-2-nitroethenyl]benzene.
Chemical Property Profile of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene
Property Insights of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene
The XLogP value of 3.2315 indicates that 1-tert-butyl-4-((E)-2-nitroethenyl)benzene 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-tert-butyl-4-((E)-2-nitroethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-butyl-4-((E)-2-nitroethenyl)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-tert-butyl-4-((E)-2-nitroethenyl)benzene?
The CAS number of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene is 62248-86-6.
What is the molecular formula of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene?
The molecular formula of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene is C12H15NO2.
What is the molecular weight of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene?
The molecular weight of 1-tert-butyl-4-((E)-2-nitroethenyl)benzene is 205.11 g/mol.
Where can I buy 1-tert-butyl-4-((E)-2-nitroethenyl)benzene?
You can request a quote for 1-tert-butyl-4-((E)-2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-butyl-4-((E)-2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butyl-4-((E)-2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.