1-((2-Methylallyl)oxy)-4-nitrobenzene
TL;DR: 1-((2-Methylallyl)oxy)-4-nitrobenzene (CAS 86497-88-3) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylprop-2-enoxy)-4-nitrobenzene
Also Known As: 1-((2-methylallyl)oxy)-4-nitrobenzene, 1-(2-methylprop-2-enoxy)-4-nitrobenzene, 1-[(2-methylprop-2-en-1-yl)oxy]-4-nitrobenzene, p-(2-methyl-2-propenyloxy)nitrobenzene, 1-Nitro-4-[(2-methylallyl)oxy]benzene
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 86497-88-3 |
|---|---|
| SMILES | CC(=C)COC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FXEDFUXGEYPGCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-Methylallyl)oxy)-4-nitrobenzene (CAS 86497-88-3), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 1-(2-methylprop-2-enoxy)-4-nitrobenzene.
Chemical Property Profile of 1-((2-Methylallyl)oxy)-4-nitrobenzene
Property Insights of 1-((2-Methylallyl)oxy)-4-nitrobenzene
The XLogP value of 3.0 indicates that 1-((2-Methylallyl)oxy)-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-((2-Methylallyl)oxy)-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2-Methylallyl)oxy)-4-nitrobenzene 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-((2-Methylallyl)oxy)-4-nitrobenzene?
The CAS number of 1-((2-Methylallyl)oxy)-4-nitrobenzene is 86497-88-3.
What is the molecular formula of 1-((2-Methylallyl)oxy)-4-nitrobenzene?
The molecular formula of 1-((2-Methylallyl)oxy)-4-nitrobenzene is C10H11NO3.
What is the molecular weight of 1-((2-Methylallyl)oxy)-4-nitrobenzene?
The molecular weight of 1-((2-Methylallyl)oxy)-4-nitrobenzene is 193.07 g/mol.
Where can I buy 1-((2-Methylallyl)oxy)-4-nitrobenzene?
You can request a quote for 1-((2-Methylallyl)oxy)-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-Methylallyl)oxy)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Methylallyl)oxy)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.