CTK7B0091
TL;DR: CTK7B0091 (CAS 1047724-35-5) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-4-((2-HYDROXY-3-METHOXYPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE, (Z)-3-tert-butyl-4-(2-hydroxy-3-methoxybenzylidene)-1-phenyl-1H-pyrazol-5(4H)-one, 5-TERT-BUTYL-4-[(2-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-2-PHENYLPYRAZOL-3-ONE, 3-tert-butyl-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one, 5-tert-butyl-4-[(2-hydroxy-3-methoxy-phenyl)methylene]-2-phenyl-pyrazol-3-one
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.2331 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 893.21735 |
Chemical Identifiers
| CAS Number | 1047724-35-5 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)O)C3=CC=CC=C3 |
Product Overview
CTK7B0091 (CAS 1047724-35-5), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: 5-tert-butyl-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of CTK7B0091
Property Insights of CTK7B0091
The XLogP value of 4.2331 indicates that CTK7B0091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK7B0091. Following Lipinski's Rule of Five, CTK7B0091 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 CTK7B0091?
The CAS number of CTK7B0091 is 1047724-35-5.
What is the molecular formula of CTK7B0091?
The molecular formula of CTK7B0091 is C21H22N2O3.
What is the molecular weight of CTK7B0091?
The molecular weight of CTK7B0091 is 350.16 g/mol.
Where can I buy CTK7B0091?
You can request a quote for CTK7B0091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK7B0091?
Yes, KEHONG BIO provides custom synthesis services for CTK7B0091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.