2-Nitro-4,6-ditert-pentylphenol
TL;DR: 2-Nitro-4,6-ditert-pentylphenol (CAS 23786-34-7) is a chemical compound with molecular formula C16H25NO3 and molecular weight 279.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(2-methylbutan-2-yl)-6-nitrophenol
Also Known As: 2,4-di-tert-amyl-6-nitrophenol, 2-nitro-4,6-ditert-pentylphenol, 2,4-bis(2-methylbutan-2-yl)-6-nitrophenol, 2,4-bis(2-methylbutan-2-yl)-6-nitro-phenol
| Molecular Formula | C16H25NO3 |
|---|---|
| Molecular Weight | 279.18 g/mol |
| LogP | 4.6756 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.18344 |
| Heavy Atoms | 20 |
| Complexity | 518.6984 |
Chemical Identifiers
| CAS Number | 23786-34-7 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(C)(C)CC |
Product Overview
2-Nitro-4,6-ditert-pentylphenol (CAS 23786-34-7), with molecular formula C16H25NO3 and molecular weight 279.18 g/mol. IUPAC: 2,4-bis(2-methylbutan-2-yl)-6-nitrophenol.
Chemical Property Profile of 2-Nitro-4,6-ditert-pentylphenol
Property Insights of 2-Nitro-4,6-ditert-pentylphenol
The XLogP value of 4.6756 indicates that 2-Nitro-4,6-ditert-pentylphenol 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 2-Nitro-4,6-ditert-pentylphenol. Following Lipinski's Rule of Five, 2-Nitro-4,6-ditert-pentylphenol 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-Nitro-4,6-ditert-pentylphenol?
The CAS number of 2-Nitro-4,6-ditert-pentylphenol is 23786-34-7.
What is the molecular formula of 2-Nitro-4,6-ditert-pentylphenol?
The molecular formula of 2-Nitro-4,6-ditert-pentylphenol is C16H25NO3.
What is the molecular weight of 2-Nitro-4,6-ditert-pentylphenol?
The molecular weight of 2-Nitro-4,6-ditert-pentylphenol is 279.18 g/mol.
Where can I buy 2-Nitro-4,6-ditert-pentylphenol?
You can request a quote for 2-Nitro-4,6-ditert-pentylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4,6-ditert-pentylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4,6-ditert-pentylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.