4-Cyclohexyl-2-nitroaniline
TL;DR: 4-Cyclohexyl-2-nitroaniline (CAS 502182-40-3) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohexyl-2-nitroaniline
Also Known As: 4-cyclohexyl-2-nitroaniline
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 502182-40-3 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC(=C(C=C2)N)[N+](=O)[O-] |
| InChIKey | OTFSRGVARJZZBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyclohexyl-2-nitroaniline (CAS 502182-40-3), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 4-cyclohexyl-2-nitroaniline.
Chemical Property Profile of 4-Cyclohexyl-2-nitroaniline
Property Insights of 4-Cyclohexyl-2-nitroaniline
The XLogP value of 4.2 indicates that 4-Cyclohexyl-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyclohexyl-2-nitroaniline. Following Lipinski's Rule of Five, 4-Cyclohexyl-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-Cyclohexyl-2-nitroaniline?
The CAS number of 4-Cyclohexyl-2-nitroaniline is 502182-40-3.
What is the molecular formula of 4-Cyclohexyl-2-nitroaniline?
The molecular formula of 4-Cyclohexyl-2-nitroaniline is C12H16N2O2.
What is the molecular weight of 4-Cyclohexyl-2-nitroaniline?
The molecular weight of 4-Cyclohexyl-2-nitroaniline is 220.12 g/mol.
Where can I buy 4-Cyclohexyl-2-nitroaniline?
You can request a quote for 4-Cyclohexyl-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-Cyclohexyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.