(4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl
TL;DR: (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl (CAS 61656-33-5) is a chemical compound with molecular formula C22H16N4O2S3 and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[5-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1,2,4-trithiolan-3-ylidene]-2-phenylpyrazol-3-one
Also Known As: (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl, 5-methyl-4-[5-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1,2,4-trithiolan-3-ylidene]-2-phenylpyrazol-3-one
| Molecular Formula | C22H16N4O2S3 |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.04355 |
| Heavy Atoms | 31 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 61656-33-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=C2SC(=C3C(=NN(C3=O)C4=CC=CC=C4)C)SS2)C5=CC=CC=C5 |
| InChIKey | CQKSKRWFRHZLTN-UHFFFAOYSA-N |
Product Overview
(4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl (CAS 61656-33-5), with molecular formula C22H16N4O2S3 and molecular weight 464.04 g/mol. IUPAC: 5-methyl-4-[5-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-1,2,4-trithiolan-3-ylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl
Property Insights of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl
The XLogP value of 3.8 indicates that (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl has 0 hydrogen bond donor(s) and 7 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 (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl?
The CAS number of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl is 61656-33-5.
What is the molecular formula of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl?
The molecular formula of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl is C22H16N4O2S3.
What is the molecular weight of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl?
The molecular weight of (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl is 464.04 g/mol.
Where can I buy (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl?
You can request a quote for (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl?
Yes, KEHONG BIO provides custom synthesis services for (4E)-5-methyl-4-[(5E)-5-(3-methyl-5-oxo-1-phenylpyrazol-4-yl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.