2,4-Dinitro-6-(1-phenylethyl)phenol
TL;DR: 2,4-Dinitro-6-(1-phenylethyl)phenol (CAS 64047-74-1) is a chemical compound with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-6-(1-phenylethyl)phenol
Also Known As: 2,4-dinitro-6-(1-phenylethyl)phenol, Phenol, 2,4-dinitro-6-(1-phenylethyl)-, 6-(alpha-Methylbenzyl)-2,4-dinitrophenol, Phenol, 2,4-dinitro-6-(alpha-methylbenzyl)-, Phenol, 2-(alpha-methylbenzyl)-4,6-dinitro-
| Molecular Formula | C14H12N2O5 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.07462 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 64047-74-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O |
| InChIKey | DGTJUIOBQZQQSD-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-6-(1-phenylethyl)phenol (CAS 64047-74-1), with molecular formula C14H12N2O5 and molecular weight 288.07 g/mol. IUPAC: 2,4-dinitro-6-(1-phenylethyl)phenol.
Chemical Property Profile of 2,4-Dinitro-6-(1-phenylethyl)phenol
Property Insights of 2,4-Dinitro-6-(1-phenylethyl)phenol
The XLogP value of 4.2 indicates that 2,4-Dinitro-6-(1-phenylethyl)phenol 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 2,4-Dinitro-6-(1-phenylethyl)phenol. Following Lipinski's Rule of Five, 2,4-Dinitro-6-(1-phenylethyl)phenol 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 2,4-Dinitro-6-(1-phenylethyl)phenol?
The CAS number of 2,4-Dinitro-6-(1-phenylethyl)phenol is 64047-74-1.
What is the molecular formula of 2,4-Dinitro-6-(1-phenylethyl)phenol?
The molecular formula of 2,4-Dinitro-6-(1-phenylethyl)phenol is C14H12N2O5.
What is the molecular weight of 2,4-Dinitro-6-(1-phenylethyl)phenol?
The molecular weight of 2,4-Dinitro-6-(1-phenylethyl)phenol is 288.07 g/mol.
Where can I buy 2,4-Dinitro-6-(1-phenylethyl)phenol?
You can request a quote for 2,4-Dinitro-6-(1-phenylethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-6-(1-phenylethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-6-(1-phenylethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.