p-Allylnitrobenzene
TL;DR: p-Allylnitrobenzene (CAS 53483-17-3) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-prop-2-enylbenzene
Also Known As: p-Allylnitrobenzene, 1-Allyl-4-nitrobenzene, p-nitroallylbenzene, 4-allylnitrobenzene, 1-Nitro-4-allylbenzene
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 53483-17-3 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | UCHCAUUKJXSNAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Allylnitrobenzene (CAS 53483-17-3), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-nitro-4-prop-2-enylbenzene.
Chemical Property Profile of p-Allylnitrobenzene
Property Insights of p-Allylnitrobenzene
The XLogP value of 3.3 indicates that p-Allylnitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, p-Allylnitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Allylnitrobenzene 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 p-Allylnitrobenzene?
The CAS number of p-Allylnitrobenzene is 53483-17-3.
What is the molecular formula of p-Allylnitrobenzene?
The molecular formula of p-Allylnitrobenzene is C9H9NO2.
What is the molecular weight of p-Allylnitrobenzene?
The molecular weight of p-Allylnitrobenzene is 163.06 g/mol.
Where can I buy p-Allylnitrobenzene?
You can request a quote for p-Allylnitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Allylnitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for p-Allylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.