![4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid structure](/static/products/5112/511237-79-9.webp)
4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid
TL;DR: 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid (CAS 511237-79-9) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid
Also Known As: BAS 06208042, AP-845/42065405, 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid, 4-oxo-4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid, 4-Oxo-4-(5-phenyl-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl)-butyric acid
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.2906 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 725.56146 |
Chemical Identifiers
| CAS Number | 511237-79-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)O)C3=CC=CC=C3 |
Product Overview
4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid (CAS 511237-79-9), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 4-oxo-4-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)butanoic acid.
Chemical Property Profile of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid
Property Insights of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid
The XLogP value of 3.2906 indicates that 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid. Following Lipinski's Rule of Five, 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid 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 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid?
The CAS number of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid is 511237-79-9.
What is the molecular formula of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid?
The molecular formula of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid is C17H16N2O3S.
What is the molecular weight of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid?
The molecular weight of 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid is 328.09 g/mol.
Where can I buy 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid?
You can request a quote for 4-oxo-4-[5-phenyl-3-(2-thienyl)-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-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4-[5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.