4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid
TL;DR: 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid (CAS 790263-53-5) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid
Also Known As: 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid, 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid, 4-oxo-4-(3-phenyl-4,5-dihydropyrazol-1-yl)butanoic Acid, 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoicacid
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 1.4878 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 482.26953 |
Chemical Identifiers
| CAS Number | 790263-53-5 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O |
Product Overview
4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid (CAS 790263-53-5), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid.
Chemical Property Profile of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid
Property Insights of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid
The XLogP value of 1.4878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 3 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-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid?
The CAS number of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid is 790263-53-5.
What is the molecular formula of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid?
The molecular formula of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid is C13H14N2O3.
What is the molecular weight of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid?
The molecular weight of 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid is 246.10 g/mol.
Where can I buy 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid?
You can request a quote for 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.