4-Ethoxy-1-methyl-2-nitrobenzene
TL;DR: 4-Ethoxy-1-methyl-2-nitrobenzene (CAS 102871-92-1) 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.
4-ethoxy-1-methyl-2-nitrobenzene
Also Known As: 4-ethoxy-1-methyl-2-nitrobenzene, 4-methyl-3-nitro-phenetole, Benzene, 4-ethoxy-1-methyl-2-nitro-, 4-Ethoxy-1-methyl-2-nitro-benzene
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 102871-92-1 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)C)[N+](=O)[O-] |
| InChIKey | DMMYNNHVBWPYKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethoxy-1-methyl-2-nitrobenzene (CAS 102871-92-1), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 4-ethoxy-1-methyl-2-nitrobenzene.
Chemical Property Profile of 4-Ethoxy-1-methyl-2-nitrobenzene
Property Insights of 4-Ethoxy-1-methyl-2-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-1-methyl-2-nitrobenzene. With a topological polar surface area (TPSA) of 55.1 Ų, 4-Ethoxy-1-methyl-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-1-methyl-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 4-Ethoxy-1-methyl-2-nitrobenzene?
The CAS number of 4-Ethoxy-1-methyl-2-nitrobenzene is 102871-92-1.
What is the molecular formula of 4-Ethoxy-1-methyl-2-nitrobenzene?
The molecular formula of 4-Ethoxy-1-methyl-2-nitrobenzene is C9H11NO3.
What is the molecular weight of 4-Ethoxy-1-methyl-2-nitrobenzene?
The molecular weight of 4-Ethoxy-1-methyl-2-nitrobenzene is 181.07 g/mol.
Where can I buy 4-Ethoxy-1-methyl-2-nitrobenzene?
You can request a quote for 4-Ethoxy-1-methyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-1-methyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-1-methyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.