N-cyclohexyl-2,4,6-trinitroaniline
TL;DR: N-cyclohexyl-2,4,6-trinitroaniline (CAS 40122-55-2) is a chemical compound with molecular formula C12H14N4O6 and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-2,4,6-trinitroaniline
Also Known As: N-cyclohexyl-2,4,6-trinitroaniline, N-cyclohexyl-2,4,6-trinitro-aniline, N-(2,4,6-trinitrophenyl) cyclohexylamine
| Molecular Formula | C12H14N4O6 |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 3.1558 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09134 |
| Heavy Atoms | 22 |
| Complexity | 591.03766 |
Chemical Identifiers
| CAS Number | 40122-55-2 |
|---|---|
| SMILES | C1CCC(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-cyclohexyl-2,4,6-trinitroaniline (CAS 40122-55-2), with molecular formula C12H14N4O6 and molecular weight 310.09 g/mol. IUPAC: N-cyclohexyl-2,4,6-trinitroaniline.
Chemical Property Profile of N-cyclohexyl-2,4,6-trinitroaniline
Property Insights of N-cyclohexyl-2,4,6-trinitroaniline
The XLogP value of 3.1558 indicates that N-cyclohexyl-2,4,6-trinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.45 Ų indicates high polarity, suggesting N-cyclohexyl-2,4,6-trinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-cyclohexyl-2,4,6-trinitroaniline has 1 hydrogen bond donor(s) and 7 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 N-cyclohexyl-2,4,6-trinitroaniline?
The CAS number of N-cyclohexyl-2,4,6-trinitroaniline is 40122-55-2.
What is the molecular formula of N-cyclohexyl-2,4,6-trinitroaniline?
The molecular formula of N-cyclohexyl-2,4,6-trinitroaniline is C12H14N4O6.
What is the molecular weight of N-cyclohexyl-2,4,6-trinitroaniline?
The molecular weight of N-cyclohexyl-2,4,6-trinitroaniline is 310.09 g/mol.
Where can I buy N-cyclohexyl-2,4,6-trinitroaniline?
You can request a quote for N-cyclohexyl-2,4,6-trinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclohexyl-2,4,6-trinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-2,4,6-trinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.