Methyl 4-nitrobenzyl ether
TL;DR: Methyl 4-nitrobenzyl ether (CAS 1515-83-9) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methoxymethyl)-4-nitrobenzene
Also Known As: 1-(methoxymethyl)-4-nitrobenzene, methyl 4-nitrobenzyl ether, p-methoxymethylnitrobenzene, 4-Nitrobenzylmethyl ether, methyl p-nitrobenzyl ether
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 1515-83-9 |
|---|---|
| SMILES | COCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | IAZCGAQNYXPMFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-nitrobenzyl ether (CAS 1515-83-9), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 1-(methoxymethyl)-4-nitrobenzene.
Chemical Property Profile of Methyl 4-nitrobenzyl ether
Property Insights of Methyl 4-nitrobenzyl ether
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-nitrobenzyl ether. With a topological polar surface area (TPSA) of 55.1 Ų, Methyl 4-nitrobenzyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-nitrobenzyl 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 Methyl 4-nitrobenzyl ether?
The CAS number of Methyl 4-nitrobenzyl ether is 1515-83-9.
What is the molecular formula of Methyl 4-nitrobenzyl ether?
The molecular formula of Methyl 4-nitrobenzyl ether is C8H9NO3.
What is the molecular weight of Methyl 4-nitrobenzyl ether?
The molecular weight of Methyl 4-nitrobenzyl ether is 167.06 g/mol.
Where can I buy Methyl 4-nitrobenzyl ether?
You can request a quote for Methyl 4-nitrobenzyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-nitrobenzyl ether?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-nitrobenzyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.