Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-
TL;DR: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- (CAS 10537-89-0) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[(E)-2-nitroethenyl]phenol
Also Known As: beta-Nitro-3,5-di-tert-butyl-4-hydroxystyrene, 2,6-Bis(1,1-dimethylethyl)-4-(2-nitroethenyl)phenol, Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-, 2,6-Di-tert-butyl-4-(2-nitroethenyl)phenol, J1.587.584D
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 4.2346 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 510.816 |
Chemical Identifiers
| CAS Number | 10537-89-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/[N+](=O)[O-] |
Product Overview
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- (CAS 10537-89-0), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: 2,6-ditert-butyl-4-[(E)-2-nitroethenyl]phenol.
Chemical Property Profile of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-
Property Insights of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-
The XLogP value of 4.2346 indicates that Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- 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 Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-. Following Lipinski's Rule of Five, Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- 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, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-?
The CAS number of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- is 10537-89-0.
What is the molecular formula of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-?
The molecular formula of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- is C16H23NO3.
What is the molecular weight of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-?
The molecular weight of Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- is 277.17 g/mol.
Where can I buy Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-?
You can request a quote for Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-nitroethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.