Benzyl 3-nitrophenyl ether
TL;DR: Benzyl 3-nitrophenyl ether (CAS 24318-00-1) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-phenylmethoxybenzene
Also Known As: 1-(benzyloxy)-3-nitrobenzene, 3-(Benzyloxy)nitrobenzene, 1-nitro-3-phenylmethoxybenzene, Benzyl 3-nitrophenyl ether, m-nitrophenyl benzyl ether
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 24318-00-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | GEIJLPZQQHHUPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-nitrophenyl ether (CAS 24318-00-1), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 1-nitro-3-phenylmethoxybenzene.
Chemical Property Profile of Benzyl 3-nitrophenyl ether
Property Insights of Benzyl 3-nitrophenyl ether
The XLogP value of 3.6 indicates that Benzyl 3-nitrophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzyl 3-nitrophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-nitrophenyl ether 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 Benzyl 3-nitrophenyl ether?
The CAS number of Benzyl 3-nitrophenyl ether is 24318-00-1.
What is the molecular formula of Benzyl 3-nitrophenyl ether?
The molecular formula of Benzyl 3-nitrophenyl ether is C13H11NO3.
What is the molecular weight of Benzyl 3-nitrophenyl ether?
The molecular weight of Benzyl 3-nitrophenyl ether is 229.07 g/mol.
Where can I buy Benzyl 3-nitrophenyl ether?
You can request a quote for Benzyl 3-nitrophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-nitrophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-nitrophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.