CTK6J5616
TL;DR: CTK6J5616 (CAS 1159976-45-0) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-4-((4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE, (Z)-3-tert-butyl-4-(4-hydroxy-3,5-dimethoxybenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one, 5-TERT-BUTYL-4-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLIDENE]-2-PHENYLPYRAZOL-3-ONE, 5-tert-butyl-4-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-2-phenyl-pyrazol-3-one, 3-tert-butyl-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 4.2417 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 931.2423 |
Chemical Identifiers
| CAS Number | 1159976-45-0 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)O)OC)C3=CC=CC=C3 |
Product Overview
CTK6J5616 (CAS 1159976-45-0), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: 5-tert-butyl-4-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of CTK6J5616
Property Insights of CTK6J5616
The XLogP value of 4.2417 indicates that CTK6J5616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK6J5616. Following Lipinski's Rule of Five, CTK6J5616 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 CTK6J5616?
The CAS number of CTK6J5616 is 1159976-45-0.
What is the molecular formula of CTK6J5616?
The molecular formula of CTK6J5616 is C22H24N2O4.
What is the molecular weight of CTK6J5616?
The molecular weight of CTK6J5616 is 380.17 g/mol.
Where can I buy CTK6J5616?
You can request a quote for CTK6J5616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK6J5616?
Yes, KEHONG BIO provides custom synthesis services for CTK6J5616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.