5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene
TL;DR: 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene (CAS 228401-22-7) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-2-nitrophenoxy)ethanol
Also Known As: 2-(4-tert-butyl-2-nitrophenoxy)ethanol, 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 228401-22-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OCCO)[N+](=O)[O-] |
| InChIKey | MLTSGYWAMPQBNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene (CAS 228401-22-7), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 2-(4-tert-butyl-2-nitrophenoxy)ethanol.
Chemical Property Profile of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene
Property Insights of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene. Following Lipinski's Rule of Five, 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene has 1 hydrogen bond donor(s) and 4 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 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene?
The CAS number of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene is 228401-22-7.
What is the molecular formula of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene?
The molecular formula of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene is C12H17NO4.
What is the molecular weight of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene?
The molecular weight of 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene is 239.12 g/mol.
Where can I buy 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene?
You can request a quote for 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2-(2-hydroxyethoxy)-1-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.