![4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid structure](/static/products/6495/649553-97-9.webp)
4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid
TL;DR: 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid (CAS 649553-97-9) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid
Also Known As: BAS 00387029, 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid, 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid, (E)-4-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)-4-oxobut-2-enoic acid
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 649553-97-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C=CC(=O)O |
| InChIKey | OOPQDRYQEAEXEW-UHFFFAOYSA-N |
Product Overview
4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid (CAS 649553-97-9), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid
Property Insights of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid
The XLogP value of -0.2 indicates that 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid. Following Lipinski's Rule of Five, 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid has 2 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 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid?
The CAS number of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid is 649553-97-9.
What is the molecular formula of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid?
The molecular formula of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid is C15H15N3O4.
What is the molecular weight of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid?
The molecular weight of 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid is 301.11 g/mol.
Where can I buy 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid?
You can request a quote for 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.