3,5-Ditert-butyl-2-nitrophenol
TL;DR: 3,5-Ditert-butyl-2-nitrophenol (CAS 3114-67-8) 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.
3,5-ditert-butyl-2-nitrophenol
Also Known As: 3,5-ditert-butyl-2-nitrophenol, 3,5-bis(tert-butyl)-2-nitrophenol, Phenol, 3,5-bis(1,1-dimethylethyl)-2-nitro-, 3,5-DI-TERT-BUTYL-2-NITROPHENOL, AE-562/12222827
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 3.8954 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 479.0381 |
Chemical Identifiers
| CAS Number | 3114-67-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(C)(C)C |
Product Overview
3,5-Ditert-butyl-2-nitrophenol (CAS 3114-67-8), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: 3,5-ditert-butyl-2-nitrophenol.
Chemical Property Profile of 3,5-Ditert-butyl-2-nitrophenol
Property Insights of 3,5-Ditert-butyl-2-nitrophenol
The XLogP value of 3.8954 indicates that 3,5-Ditert-butyl-2-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Ditert-butyl-2-nitrophenol. Following Lipinski's Rule of Five, 3,5-Ditert-butyl-2-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 3,5-Ditert-butyl-2-nitrophenol?
The CAS number of 3,5-Ditert-butyl-2-nitrophenol is 3114-67-8.
What is the molecular formula of 3,5-Ditert-butyl-2-nitrophenol?
The molecular formula of 3,5-Ditert-butyl-2-nitrophenol is C14H21NO3.
What is the molecular weight of 3,5-Ditert-butyl-2-nitrophenol?
The molecular weight of 3,5-Ditert-butyl-2-nitrophenol is 251.15 g/mol.
Where can I buy 3,5-Ditert-butyl-2-nitrophenol?
You can request a quote for 3,5-Ditert-butyl-2-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Ditert-butyl-2-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditert-butyl-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.