1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione
TL;DR: 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione (CAS 87100-61-6) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione
Also Known As: Maybridge1_003136, 2-(4-fluorobenzyl)thiophene, 1-Phenyl-4-acetoacetyl-3-methylpyrazol-5-ol, 1-(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)BUTANE-1,3-DIONE, 2-(piperidin-4-yloxy)acetic acid hydrochloride
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 87100-61-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)CC(=O)C |
| InChIKey | WNGRXUQETAVNOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione (CAS 87100-61-6), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione.
Chemical Property Profile of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione
Property Insights of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione. Following Lipinski's Rule of Five, 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione 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 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione?
The CAS number of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione is 87100-61-6.
What is the molecular formula of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione?
The molecular formula of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione is C14H14N2O3.
What is the molecular weight of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione?
The molecular weight of 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione is 258.10 g/mol.
Where can I buy 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione?
You can request a quote for 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-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 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.