1-(4-Methyl-3-nitrophenyl)adamantane
TL;DR: 1-(4-Methyl-3-nitrophenyl)adamantane (CAS 26378-29-0) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-3-nitrophenyl)adamantane
Also Known As: 1-(4-methyl-3-nitrophenyl)adamantane, 1-(4-Methyl-3-nitro-phenyl)-adamantane, BAS 00086487, 4-adamantanyl-1-methyl-2-nitrobenzene, 1-(4-methyl-3-nitro-phenyl)adamantane
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 4.37102 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 543.06854 |
Chemical Identifiers
| CAS Number | 26378-29-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-] |
Product Overview
1-(4-Methyl-3-nitrophenyl)adamantane (CAS 26378-29-0), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)adamantane.
Chemical Property Profile of 1-(4-Methyl-3-nitrophenyl)adamantane
Property Insights of 1-(4-Methyl-3-nitrophenyl)adamantane
The XLogP value of 4.37102 indicates that 1-(4-Methyl-3-nitrophenyl)adamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-(4-Methyl-3-nitrophenyl)adamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methyl-3-nitrophenyl)adamantane has 0 hydrogen bond donor(s) and 2 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-(4-Methyl-3-nitrophenyl)adamantane?
The CAS number of 1-(4-Methyl-3-nitrophenyl)adamantane is 26378-29-0.
What is the molecular formula of 1-(4-Methyl-3-nitrophenyl)adamantane?
The molecular formula of 1-(4-Methyl-3-nitrophenyl)adamantane is C17H21NO2.
What is the molecular weight of 1-(4-Methyl-3-nitrophenyl)adamantane?
The molecular weight of 1-(4-Methyl-3-nitrophenyl)adamantane is 271.16 g/mol.
Where can I buy 1-(4-Methyl-3-nitrophenyl)adamantane?
You can request a quote for 1-(4-Methyl-3-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-(4-Methyl-3-nitrophenyl)adamantane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-3-nitrophenyl)adamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.