![5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline structure](/static/products/114/114306-68-2.png)
5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline
TL;DR: 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline (CAS 114306-68-2) is a chemical compound with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]aniline
Also Known As: 1-(2-amino-4-nitrophenoxy)-2-(4-tert-octylphenoxy)ethane, 5-nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline, 5-nitro-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]aniline, 5-nitro-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}aniline
| Molecular Formula | C22H30N2O4 |
|---|---|
| Molecular Weight | 386.22 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.22055 |
| Heavy Atoms | 28 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 114306-68-2 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)[N+](=O)[O-])N |
| InChIKey | PRTJCUHFMZJVNQ-UHFFFAOYSA-N |
Product Overview
5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline (CAS 114306-68-2), with molecular formula C22H30N2O4 and molecular weight 386.22 g/mol. IUPAC: 5-nitro-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]aniline.
Chemical Property Profile of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline
Property Insights of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline
The XLogP value of 6.1 indicates that 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline. Following Lipinski's Rule of Five, 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline?
The CAS number of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline is 114306-68-2.
What is the molecular formula of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline?
The molecular formula of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline is C22H30N2O4.
What is the molecular weight of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline?
The molecular weight of 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline is 386.22 g/mol.
Where can I buy 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline?
You can request a quote for 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.