1-(2-Methoxy-5-nitrophenyl)adamantane
TL;DR: 1-(2-Methoxy-5-nitrophenyl)adamantane (CAS 893765-46-3) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxy-5-nitrophenyl)adamantane
Also Known As: 1-(2-methoxy-5-nitrophenyl)adamantane, 2-adamantanyl-1-methoxy-4-nitrobenzene, 1-(2-methoxy-5-nitro-phenyl)adamantane, 2-(1-adamantyl)-4-nitrophenyl methyl ether, A4072/0173507
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 4.0712 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 560.4138 |
Chemical Identifiers
| CAS Number | 893765-46-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3 |
Product Overview
1-(2-Methoxy-5-nitrophenyl)adamantane (CAS 893765-46-3), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: 1-(2-methoxy-5-nitrophenyl)adamantane.
Chemical Property Profile of 1-(2-Methoxy-5-nitrophenyl)adamantane
Property Insights of 1-(2-Methoxy-5-nitrophenyl)adamantane
The XLogP value of 4.0712 indicates that 1-(2-Methoxy-5-nitrophenyl)adamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-(2-Methoxy-5-nitrophenyl)adamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methoxy-5-nitrophenyl)adamantane has 0 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 1-(2-Methoxy-5-nitrophenyl)adamantane?
The CAS number of 1-(2-Methoxy-5-nitrophenyl)adamantane is 893765-46-3.
What is the molecular formula of 1-(2-Methoxy-5-nitrophenyl)adamantane?
The molecular formula of 1-(2-Methoxy-5-nitrophenyl)adamantane is C17H21NO3.
What is the molecular weight of 1-(2-Methoxy-5-nitrophenyl)adamantane?
The molecular weight of 1-(2-Methoxy-5-nitrophenyl)adamantane is 287.15 g/mol.
Where can I buy 1-(2-Methoxy-5-nitrophenyl)adamantane?
You can request a quote for 1-(2-Methoxy-5-nitrophenyl)adamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxy-5-nitrophenyl)adamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxy-5-nitrophenyl)adamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.