![Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- structure](/static/products/902/90243-87-1.png)
Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-
TL;DR: Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- (CAS 90243-87-1) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylbutan-2-yl)-2-nitrophenoxy]ethanol
Also Known As: Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-, Ethanol,1-dimethylpropyl)-2-nitrophenoxy]-, 2-[4-(2-methylbutan-2-yl)-2-nitrophenoxy]ethanol, 2-[4-(2-Methylbutan-2-yl)-2-nitrophenoxy]ethan-1-ol, Ethanol, 2-[4-(1,1-dimethylpropyl)-2-nitrophenoxy]-
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 90243-87-1 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCO)[N+](=O)[O-] |
| InChIKey | VXYUHWAUWBDVJD-UHFFFAOYSA-N |
Product Overview
Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- (CAS 90243-87-1), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: 2-[4-(2-methylbutan-2-yl)-2-nitrophenoxy]ethanol.
Chemical Property Profile of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-
Property Insights of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-
The XLogP value of 3.3 indicates that Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-. Following Lipinski's Rule of Five, Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- 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 Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-?
The CAS number of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- is 90243-87-1.
What is the molecular formula of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-?
The molecular formula of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- is C13H19NO4.
What is the molecular weight of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-?
The molecular weight of Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- is 253.13 g/mol.
Where can I buy Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-?
You can request a quote for Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-[2-nitro-4-(tert-pentyl)phenoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.