1-(Ethoxymethyl)-2-nitrobenzene
TL;DR: 1-(Ethoxymethyl)-2-nitrobenzene (CAS 66424-93-9) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(ethoxymethyl)-2-nitrobenzene
Also Known As: 2-nitrobenzyl ethyl ether, 1-(ethoxymethyl)-2-nitrobenzene, 1-(ethoxymethyl)-2-nitro-benzene, InChI=1/C9H11NO3/c1-2-13-7-8-5-3-4-6-9(8)10(11)12/h3-6H,2,7H2,1H
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.1313 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 298.66623 |
Chemical Identifiers
| CAS Number | 66424-93-9 |
|---|---|
| SMILES | CCOCC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
1-(Ethoxymethyl)-2-nitrobenzene (CAS 66424-93-9), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 1-(ethoxymethyl)-2-nitrobenzene.
Chemical Property Profile of 1-(Ethoxymethyl)-2-nitrobenzene
Property Insights of 1-(Ethoxymethyl)-2-nitrobenzene
The XLogP value of 2.1313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethoxymethyl)-2-nitrobenzene. With a topological polar surface area (TPSA) of 52.37 Ų, 1-(Ethoxymethyl)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Ethoxymethyl)-2-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-(Ethoxymethyl)-2-nitrobenzene?
The CAS number of 1-(Ethoxymethyl)-2-nitrobenzene is 66424-93-9.
What is the molecular formula of 1-(Ethoxymethyl)-2-nitrobenzene?
The molecular formula of 1-(Ethoxymethyl)-2-nitrobenzene is C9H11NO3.
What is the molecular weight of 1-(Ethoxymethyl)-2-nitrobenzene?
The molecular weight of 1-(Ethoxymethyl)-2-nitrobenzene is 181.07 g/mol.
Where can I buy 1-(Ethoxymethyl)-2-nitrobenzene?
You can request a quote for 1-(Ethoxymethyl)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethoxymethyl)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethoxymethyl)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.