4-(Cyclohexylamino)-3-nitrobenzonitrile
TL;DR: 4-(Cyclohexylamino)-3-nitrobenzonitrile (CAS 28096-55-1) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(cyclohexylamino)-3-nitrobenzonitrile
Also Known As: 4-(cyclohexylamino)-3-nitrobenzonitrile, 4-Cyclohexylamino-3-nitrobenzonitrile, Benzonitrile, 4-(cyclohexylamino)-3-nitro-, N-cyclohexyl-4-cyano-2-nitroaniline, 4-(cyclohexylamino)-3-nitrobenzenecarbonitrile
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 3.21108 |
| Topological Polar Surface Area | 78.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 487.5 |
Chemical Identifiers
| CAS Number | 28096-55-1 |
|---|---|
| SMILES | C1CCC(CC1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-] |
Product Overview
4-(Cyclohexylamino)-3-nitrobenzonitrile (CAS 28096-55-1), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 4-(cyclohexylamino)-3-nitrobenzonitrile.
Chemical Property Profile of 4-(Cyclohexylamino)-3-nitrobenzonitrile
Property Insights of 4-(Cyclohexylamino)-3-nitrobenzonitrile
The XLogP value of 3.21108 indicates that 4-(Cyclohexylamino)-3-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Cyclohexylamino)-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-(Cyclohexylamino)-3-nitrobenzonitrile has 1 hydrogen bond donor(s) and 4 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-(Cyclohexylamino)-3-nitrobenzonitrile?
The CAS number of 4-(Cyclohexylamino)-3-nitrobenzonitrile is 28096-55-1.
What is the molecular formula of 4-(Cyclohexylamino)-3-nitrobenzonitrile?
The molecular formula of 4-(Cyclohexylamino)-3-nitrobenzonitrile is C13H15N3O2.
What is the molecular weight of 4-(Cyclohexylamino)-3-nitrobenzonitrile?
The molecular weight of 4-(Cyclohexylamino)-3-nitrobenzonitrile is 245.12 g/mol.
Where can I buy 4-(Cyclohexylamino)-3-nitrobenzonitrile?
You can request a quote for 4-(Cyclohexylamino)-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Cyclohexylamino)-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyclohexylamino)-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.