4,6-Ditert-butyl-3-methyl-2-nitrophenol
TL;DR: 4,6-Ditert-butyl-3-methyl-2-nitrophenol (CAS 3114-65-6) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-3-methyl-2-nitrophenol
Also Known As: 4,6-ditert-butyl-3-methyl-2-nitrophenol, 4,6-di-tert-butyl-3-methyl-2-nitrophenol, 4,6-ditert-butyl-3-methyl-2-nitro-phenol
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 3114-65-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)[N+](=O)[O-] |
| InChIKey | DHSKQZOTQWDACW-UHFFFAOYSA-N |
Product Overview
4,6-Ditert-butyl-3-methyl-2-nitrophenol (CAS 3114-65-6), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: 4,6-ditert-butyl-3-methyl-2-nitrophenol.
Chemical Property Profile of 4,6-Ditert-butyl-3-methyl-2-nitrophenol
Property Insights of 4,6-Ditert-butyl-3-methyl-2-nitrophenol
The XLogP value of 5.7 indicates that 4,6-Ditert-butyl-3-methyl-2-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 4,6-Ditert-butyl-3-methyl-2-nitrophenol. Following Lipinski's Rule of Five, 4,6-Ditert-butyl-3-methyl-2-nitrophenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Ditert-butyl-3-methyl-2-nitrophenol?
The CAS number of 4,6-Ditert-butyl-3-methyl-2-nitrophenol is 3114-65-6.
What is the molecular formula of 4,6-Ditert-butyl-3-methyl-2-nitrophenol?
The molecular formula of 4,6-Ditert-butyl-3-methyl-2-nitrophenol is C15H23NO3.
What is the molecular weight of 4,6-Ditert-butyl-3-methyl-2-nitrophenol?
The molecular weight of 4,6-Ditert-butyl-3-methyl-2-nitrophenol is 265.17 g/mol.
Where can I buy 4,6-Ditert-butyl-3-methyl-2-nitrophenol?
You can request a quote for 4,6-Ditert-butyl-3-methyl-2-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Ditert-butyl-3-methyl-2-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Ditert-butyl-3-methyl-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.