![2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione structure](/static/products/3132/313273-04-0.webp)
2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione (CAS 313273-04-0) is a chemical compound with molecular formula C24H21ClN2O2 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione, 2-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-5,5-dimethylcyclohexane-1,3-dione, 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione, 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione, 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5,5-dimethyl-1,3-cyclohexanedione
| Molecular Formula | C24H21ClN2O2 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 5.5343 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.12915 |
| Heavy Atoms | 29 |
| Complexity | 1087.5422 |
Chemical Identifiers
| CAS Number | 313273-04-0 |
|---|---|
| SMILES | CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione (CAS 313273-04-0), with molecular formula C24H21ClN2O2 and molecular weight 404.13 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 5.5343 indicates that 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione is 313273-04-0.
What is the molecular formula of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione is C24H21ClN2O2.
What is the molecular weight of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione is 404.13 g/mol.
Where can I buy 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.