1-Nitro-4-(octyloxy)benzene
TL;DR: 1-Nitro-4-(octyloxy)benzene (CAS 49562-76-7) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-octoxybenzene
Also Known As: 4-Nitrophenyl octyl ether, 1-Nitro-4-(octyloxy)benzene, 1-nitro-4-octoxybenzene, p-Octyloxynitrobenzene, p-nitrophenoxyoctane
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 49562-76-7 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | WTTNDGCMXADGCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(octyloxy)benzene (CAS 49562-76-7), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: 1-nitro-4-octoxybenzene.
Chemical Property Profile of 1-Nitro-4-(octyloxy)benzene
Property Insights of 1-Nitro-4-(octyloxy)benzene
The XLogP value of 5.3 indicates that 1-Nitro-4-(octyloxy)benzene 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-Nitro-4-(octyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(octyloxy)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Nitro-4-(octyloxy)benzene?
The CAS number of 1-Nitro-4-(octyloxy)benzene is 49562-76-7.
What is the molecular formula of 1-Nitro-4-(octyloxy)benzene?
The molecular formula of 1-Nitro-4-(octyloxy)benzene is C14H21NO3.
What is the molecular weight of 1-Nitro-4-(octyloxy)benzene?
The molecular weight of 1-Nitro-4-(octyloxy)benzene is 251.15 g/mol.
Where can I buy 1-Nitro-4-(octyloxy)benzene?
You can request a quote for 1-Nitro-4-(octyloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-(octyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(octyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.