2,6-Di-tert-butyl-4-nitrophenol
TL;DR: 2,6-Di-tert-butyl-4-nitrophenol (CAS 728-40-5) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-nitrophenol
Also Known As: 2,6-Di-tert-butyl-4-nitrophenol, Bayer 4889, 2,6-ditert-butyl-4-nitrophenol, Bayer 28589, DBNP cpd
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 728-40-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | FCGKUUOTWLWJHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di-tert-butyl-4-nitrophenol (CAS 728-40-5), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: 2,6-ditert-butyl-4-nitrophenol.
Chemical Property Profile of 2,6-Di-tert-butyl-4-nitrophenol
Property Insights of 2,6-Di-tert-butyl-4-nitrophenol
The XLogP value of 4.7 indicates that 2,6-Di-tert-butyl-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Di-tert-butyl-4-nitrophenol. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-nitrophenol has 1 hydrogen bond donor(s) and 3 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 2,6-Di-tert-butyl-4-nitrophenol?
The CAS number of 2,6-Di-tert-butyl-4-nitrophenol is 728-40-5.
What is the molecular formula of 2,6-Di-tert-butyl-4-nitrophenol?
The molecular formula of 2,6-Di-tert-butyl-4-nitrophenol is C14H21NO3.
What is the molecular weight of 2,6-Di-tert-butyl-4-nitrophenol?
The molecular weight of 2,6-Di-tert-butyl-4-nitrophenol is 251.15 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-nitrophenol?
You can request a quote for 2,6-Di-tert-butyl-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.