4-(1-Adamantyl)-2,6-dinitrophenol
TL;DR: 4-(1-Adamantyl)-2,6-dinitrophenol (CAS 313648-62-3) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-2,6-dinitrophenol
Also Known As: 4-(1-adamantyl)-2,6-dinitrophenol, 4-(Adamantan-1-yl)-2,6-dinitrophenol, 4-adamantanyl-2,6-dinitrophenol
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 3.6764 |
| Topological Polar Surface Area | 106.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 644.1331 |
Chemical Identifiers
| CAS Number | 313648-62-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
4-(1-Adamantyl)-2,6-dinitrophenol (CAS 313648-62-3), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: 4-(1-adamantyl)-2,6-dinitrophenol.
Chemical Property Profile of 4-(1-Adamantyl)-2,6-dinitrophenol
Property Insights of 4-(1-Adamantyl)-2,6-dinitrophenol
The XLogP value of 3.6764 indicates that 4-(1-Adamantyl)-2,6-dinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Adamantyl)-2,6-dinitrophenol. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-2,6-dinitrophenol has 1 hydrogen bond donor(s) and 5 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 4-(1-Adamantyl)-2,6-dinitrophenol?
The CAS number of 4-(1-Adamantyl)-2,6-dinitrophenol is 313648-62-3.
What is the molecular formula of 4-(1-Adamantyl)-2,6-dinitrophenol?
The molecular formula of 4-(1-Adamantyl)-2,6-dinitrophenol is C16H18N2O5.
What is the molecular weight of 4-(1-Adamantyl)-2,6-dinitrophenol?
The molecular weight of 4-(1-Adamantyl)-2,6-dinitrophenol is 318.12 g/mol.
Where can I buy 4-(1-Adamantyl)-2,6-dinitrophenol?
You can request a quote for 4-(1-Adamantyl)-2,6-dinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantyl)-2,6-dinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-2,6-dinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.