1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene
TL;DR: 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene (CAS 32101-58-9) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-tert-butylphenoxy)-2,4-dinitrobenzene
Also Known As: Ether, o-tert-butylphenyl 2,4-dinitrophenyl, 1-(2-tert-butylphenoxy)-2,4-dinitrobenzene, o-tert-Butylphenyl 2,4-dinitrophenyl ether, 2,4-Dinitrophenyl 2-tert-butylphenyl ether, 2-tert-Butylphenyl 2,4-dinitrophenyl ether
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 32101-58-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ICTBPAKKMQFGEG-UHFFFAOYSA-N |
Product Overview
1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene (CAS 32101-58-9), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: 1-(2-tert-butylphenoxy)-2,4-dinitrobenzene.
Chemical Property Profile of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene
Property Insights of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene
The XLogP value of 4.8 indicates that 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene. Following Lipinski's Rule of Five, 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene has 0 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 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene?
The CAS number of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene is 32101-58-9.
What is the molecular formula of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene?
The molecular formula of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene is C16H16N2O5.
What is the molecular weight of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene?
The molecular weight of 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene is 316.11 g/mol.
Where can I buy 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene?
You can request a quote for 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Tert-butylphenoxy)-2,4-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.