![3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid structure](/static/products/882/882140-27-4.png)
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid
TL;DR: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 882140-27-4) is a chemical compound with molecular formula C13H10ClFN2O2 and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoic acid
Also Known As: (2e)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1h-pyrazol-4-yl]prop-2-enoic acid, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid, (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoic acid, (E)-3-(5-Chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylic acid
| Molecular Formula | C13H10ClFN2O2 |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 3.07102 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.04147 |
| Heavy Atoms | 19 |
| Complexity | 647.40796 |
Chemical Identifiers
| CAS Number | 882140-27-4 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)O)Cl)C2=CC=C(C=C2)F |
Product Overview
3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid (CAS 882140-27-4), with molecular formula C13H10ClFN2O2 and molecular weight 280.04 g/mol. IUPAC: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid
Property Insights of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid
The XLogP value of 3.07102 indicates that 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
The CAS number of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is 882140-27-4.
What is the molecular formula of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular formula of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is C13H10ClFN2O2.
What is the molecular weight of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
The molecular weight of 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid is 280.04 g/mol.
Where can I buy 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
You can request a quote for 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-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 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.