1-Butoxy-4-(2-nitro-vinyl)-benzene
TL;DR: 1-Butoxy-4-(2-nitro-vinyl)-benzene (CAS 115514-08-4) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-4-(2-nitroethenyl)benzene
Also Known As: 1-butoxy-4-(2-nitroethenyl)benzene, 2-(4'-butoxyphenyl)-1-nitroethene, 1-BUTOXY-4-(2-NITRO-VINYL)-BENZENE, 683-038-6, RefChem:430960
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 3.1129 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 357.03156 |
Chemical Identifiers
| CAS Number | 115514-08-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C=C[N+](=O)[O-] |
Product Overview
1-Butoxy-4-(2-nitro-vinyl)-benzene (CAS 115514-08-4), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 1-butoxy-4-(2-nitroethenyl)benzene.
Chemical Property Profile of 1-Butoxy-4-(2-nitro-vinyl)-benzene
Property Insights of 1-Butoxy-4-(2-nitro-vinyl)-benzene
The XLogP value of 3.1129 indicates that 1-Butoxy-4-(2-nitro-vinyl)-benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Butoxy-4-(2-nitro-vinyl)-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-4-(2-nitro-vinyl)-benzene has 0 hydrogen bond donor(s) and 3 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-Butoxy-4-(2-nitro-vinyl)-benzene?
The CAS number of 1-Butoxy-4-(2-nitro-vinyl)-benzene is 115514-08-4.
What is the molecular formula of 1-Butoxy-4-(2-nitro-vinyl)-benzene?
The molecular formula of 1-Butoxy-4-(2-nitro-vinyl)-benzene is C12H15NO3.
What is the molecular weight of 1-Butoxy-4-(2-nitro-vinyl)-benzene?
The molecular weight of 1-Butoxy-4-(2-nitro-vinyl)-benzene is 221.11 g/mol.
Where can I buy 1-Butoxy-4-(2-nitro-vinyl)-benzene?
You can request a quote for 1-Butoxy-4-(2-nitro-vinyl)-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-4-(2-nitro-vinyl)-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-4-(2-nitro-vinyl)-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.