Phenol, 4-(1,1-dimethylethyl)-2-nitro-
TL;DR: Phenol, 4-(1,1-dimethylethyl)-2-nitro- (CAS 3279-07-0) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-nitrophenol
Also Known As: 4-tert-Butyl-2-nitrophenol, 2-Nitro-4-tert-butylphenol, 4-(TERT-BUTYL)-2-NITROPHENOL, Phenol, 4-(1,1-dimethylethyl)-2-nitro-, o-nitro-p-t-butyl-phenol
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 3279-07-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | IHGNADPMUSNTJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-(1,1-dimethylethyl)-2-nitro- (CAS 3279-07-0), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 4-tert-butyl-2-nitrophenol.
Chemical Property Profile of Phenol, 4-(1,1-dimethylethyl)-2-nitro-
Property Insights of Phenol, 4-(1,1-dimethylethyl)-2-nitro-
The XLogP value of 3.7 indicates that Phenol, 4-(1,1-dimethylethyl)-2-nitro- 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 Phenol, 4-(1,1-dimethylethyl)-2-nitro-. Following Lipinski's Rule of Five, Phenol, 4-(1,1-dimethylethyl)-2-nitro- 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 Phenol, 4-(1,1-dimethylethyl)-2-nitro-?
The CAS number of Phenol, 4-(1,1-dimethylethyl)-2-nitro- is 3279-07-0.
What is the molecular formula of Phenol, 4-(1,1-dimethylethyl)-2-nitro-?
The molecular formula of Phenol, 4-(1,1-dimethylethyl)-2-nitro- is C10H13NO3.
What is the molecular weight of Phenol, 4-(1,1-dimethylethyl)-2-nitro-?
The molecular weight of Phenol, 4-(1,1-dimethylethyl)-2-nitro- is 195.09 g/mol.
Where can I buy Phenol, 4-(1,1-dimethylethyl)-2-nitro-?
You can request a quote for Phenol, 4-(1,1-dimethylethyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(1,1-dimethylethyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(1,1-dimethylethyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.