3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone
TL;DR: 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone (CAS 3261-55-0) is a chemical compound with molecular formula C15H18N4O4 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]aniline
Also Known As: ISOPHORONE-DNPH, 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone, 2,4-dinitro-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]aniline, (1E)-3,5,5-Trimethyl-2-cyclohexen-1-one (2,4-dinitrophenyl)hydrazone #, 2-Cyclohexen-1-one,2,3,5-trimethyl-, 2-(2,4-dinitrophenyl)hydrazone
| Molecular Formula | C15H18N4O4 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 4.0372 |
| Topological Polar Surface Area | 110.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1328 |
| Heavy Atoms | 23 |
| Complexity | 722.18713 |
Chemical Identifiers
| CAS Number | 3261-55-0 |
|---|---|
| SMILES | CC1=C/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/CC(C1)(C)C |
Product Overview
3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone (CAS 3261-55-0), with molecular formula C15H18N4O4 and molecular weight 318.13 g/mol. IUPAC: 2,4-dinitro-N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]aniline.
Chemical Property Profile of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone
Property Insights of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone
The XLogP value of 4.0372 indicates that 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone has 1 hydrogen bond donor(s) and 6 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 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone?
The CAS number of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone is 3261-55-0.
What is the molecular formula of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone?
The molecular formula of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone is C15H18N4O4.
What is the molecular weight of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone?
The molecular weight of 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone is 318.13 g/mol.
Where can I buy 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone?
You can request a quote for 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl-2-cyclohexenone 2,4-dinitrophenylhydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.