N-cyclohexyl-4-methyl-2,6-dinitroaniline
TL;DR: N-cyclohexyl-4-methyl-2,6-dinitroaniline (CAS 200058-67-9) is a chemical compound with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-methyl-2,6-dinitroaniline
Also Known As: N-cyclohexyl-4-methyl-2,6-dinitroaniline, cyclohexyl(4-methyl-2,6-dinitrophenyl)amine, cyclohexyl-(4-methyl-2,6-dinitro-phenyl)-amine, N-CYCLOHEXYL-2,6-DINITRO-4-METHYLANILINE
| Molecular Formula | C13H17N3O4 |
|---|---|
| Molecular Weight | 279.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.12192 |
| Heavy Atoms | 20 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 200058-67-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NC2CCCCC2)[N+](=O)[O-] |
| InChIKey | ITNZSTRESIXIHL-UHFFFAOYSA-N |
Product Overview
N-cyclohexyl-4-methyl-2,6-dinitroaniline (CAS 200058-67-9), with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol. IUPAC: N-cyclohexyl-4-methyl-2,6-dinitroaniline.
Chemical Property Profile of N-cyclohexyl-4-methyl-2,6-dinitroaniline
Property Insights of N-cyclohexyl-4-methyl-2,6-dinitroaniline
The XLogP value of 4.3 indicates that N-cyclohexyl-4-methyl-2,6-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclohexyl-4-methyl-2,6-dinitroaniline. Following Lipinski's Rule of Five, N-cyclohexyl-4-methyl-2,6-dinitroaniline has 1 hydrogen bond donor(s) and 5 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-4-methyl-2,6-dinitroaniline?
The CAS number of N-cyclohexyl-4-methyl-2,6-dinitroaniline is 200058-67-9.
What is the molecular formula of N-cyclohexyl-4-methyl-2,6-dinitroaniline?
The molecular formula of N-cyclohexyl-4-methyl-2,6-dinitroaniline is C13H17N3O4.
What is the molecular weight of N-cyclohexyl-4-methyl-2,6-dinitroaniline?
The molecular weight of N-cyclohexyl-4-methyl-2,6-dinitroaniline is 279.12 g/mol.
Where can I buy N-cyclohexyl-4-methyl-2,6-dinitroaniline?
You can request a quote for N-cyclohexyl-4-methyl-2,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclohexyl-4-methyl-2,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-4-methyl-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.