(2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone
TL;DR: (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone (CAS 602298-27-1) is a chemical compound with molecular formula C20H17NO3 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,6E)-2-benzylidene-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one
Also Known As: (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone, (2E,6E)-2-benzylidene-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one, (2E,6E)-2-[(4-nitrophenyl)methylidene]-6-(phenylmethylidene)cyclohexan-1-one
| Molecular Formula | C20H17NO3 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 4.8148 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.12085 |
| Heavy Atoms | 24 |
| Complexity | 817.7223 |
Chemical Identifiers
| CAS Number | 602298-27-1 |
|---|---|
| SMILES | C1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C1 |
Product Overview
(2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone (CAS 602298-27-1), with molecular formula C20H17NO3 and molecular weight 319.12 g/mol. IUPAC: (2E,6E)-2-benzylidene-6-[(4-nitrophenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone
Property Insights of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone
The XLogP value of 4.8148 indicates that (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone. Following Lipinski's Rule of Five, (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone has 0 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 (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone?
The CAS number of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone is 602298-27-1.
What is the molecular formula of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone?
The molecular formula of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone is C20H17NO3.
What is the molecular weight of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone?
The molecular weight of (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone is 319.12 g/mol.
Where can I buy (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone?
You can request a quote for (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for (2E,6E)-2-benzylidene-6-(4-nitrobenzylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.