![3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid structure](/static/products/882/882230-13-9.png)
3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid
TL;DR: 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid (CAS 882230-13-9) is a chemical compound with molecular formula C21H16ClFN2O3 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-chlorophenyl)-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid
Also Known As: 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid, 3-[3-(3-chlorophenyl)-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid, 3-[3-(3-chlorophenyl)-4-[3-(4-fluorophenyl)-3-oxo-prop-1-enyl]pyrazol-1-yl]propanoic Acid
| Molecular Formula | C21H16ClFN2O3 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.7134 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.08334 |
| Heavy Atoms | 28 |
| Complexity | 1042.0592 |
Chemical Identifiers
| CAS Number | 882230-13-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)F)CCC(=O)O |
Product Overview
3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid (CAS 882230-13-9), with molecular formula C21H16ClFN2O3 and molecular weight 398.08 g/mol. IUPAC: 3-[3-(3-chlorophenyl)-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid.
Chemical Property Profile of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid
Property Insights of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid
The XLogP value of 4.7134 indicates that 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic 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 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid?
The CAS number of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid is 882230-13-9.
What is the molecular formula of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid?
The molecular formula of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid is C21H16ClFN2O3.
What is the molecular weight of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid?
The molecular weight of 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid is 398.08 g/mol.
Where can I buy 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid?
You can request a quote for 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(3-chlorophenyl)-4-[(1Z)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl]-1H-pyrazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.