4-(2-Methylbutan-2-yl)-2,6-dinitrophenol
TL;DR: 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol (CAS 53555-13-8) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylbutan-2-yl)-2,6-dinitrophenol
Also Known As: 4-tert-anyl-2,6-dinitrophenol, 4-(2-methylbutan-2-yl)-2,6-dinitrophenol, 4-Tert-anyl-26-dinitrophenol, 4-tert-amyl-2,6-dinitrophenol, 2,6-Dinitro-4-(tert-pentyl)phenol
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 53555-13-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | BTFCDCNHRPIDHR-UHFFFAOYSA-N |
Product Overview
4-(2-Methylbutan-2-yl)-2,6-dinitrophenol (CAS 53555-13-8), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: 4-(2-methylbutan-2-yl)-2,6-dinitrophenol.
Chemical Property Profile of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol
Property Insights of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol
The XLogP value of 4.0 indicates that 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol. Following Lipinski's Rule of Five, 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol has 1 hydrogen bond donor(s) and 5 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-(2-Methylbutan-2-yl)-2,6-dinitrophenol?
The CAS number of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol is 53555-13-8.
What is the molecular formula of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol?
The molecular formula of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol is C11H14N2O5.
What is the molecular weight of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol?
The molecular weight of 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol is 254.09 g/mol.
Where can I buy 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol?
You can request a quote for 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.