4-(1-Adamantyl)-2-nitroaniline
TL;DR: 4-(1-Adamantyl)-2-nitroaniline (CAS 59974-48-0) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-2-nitroaniline
Also Known As: 4-(1-adamantyl)-2-nitroaniline, 4-(Adamantan-1-yl)-2-nitroaniline, [4-(1-adamantyl)-2-nitrophenyl]amine, 4-adamantanyl-2-nitrophenylamine, 4-(1-adamantyl)-2-nitro-aniline
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 3.6448 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 546.5554 |
Chemical Identifiers
| CAS Number | 59974-48-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)N)[N+](=O)[O-] |
Product Overview
4-(1-Adamantyl)-2-nitroaniline (CAS 59974-48-0), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 4-(1-adamantyl)-2-nitroaniline.
Chemical Property Profile of 4-(1-Adamantyl)-2-nitroaniline
Property Insights of 4-(1-Adamantyl)-2-nitroaniline
The XLogP value of 3.6448 indicates that 4-(1-Adamantyl)-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Adamantyl)-2-nitroaniline. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-2-nitroaniline 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 4-(1-Adamantyl)-2-nitroaniline?
The CAS number of 4-(1-Adamantyl)-2-nitroaniline is 59974-48-0.
What is the molecular formula of 4-(1-Adamantyl)-2-nitroaniline?
The molecular formula of 4-(1-Adamantyl)-2-nitroaniline is C16H20N2O2.
What is the molecular weight of 4-(1-Adamantyl)-2-nitroaniline?
The molecular weight of 4-(1-Adamantyl)-2-nitroaniline is 272.15 g/mol.
Where can I buy 4-(1-Adamantyl)-2-nitroaniline?
You can request a quote for 4-(1-Adamantyl)-2-nitroaniline 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-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.