![3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid structure](/static/products/956/956714-01-5.png)
3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
TL;DR: 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid (CAS 956714-01-5) is a chemical compound with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid
Also Known As: 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid, 3-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoic Acid, 3-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid, (2e)-3-{5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methyl-1h-pyrazol-4-yl}prop-2-enoic acid
| Molecular Formula | C14H11Cl3N2O2 |
|---|---|
| Molecular Weight | 343.99 g/mol |
| LogP | 4.29782 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.98862 |
| Heavy Atoms | 21 |
| Complexity | 723.24945 |
Chemical Identifiers
| CAS Number | 956714-01-5 |
|---|---|
| SMILES | CC1=NN(C(=C1C=CC(=O)O)Cl)CC2=C(C=C(C=C2)Cl)Cl |
Product Overview
3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid (CAS 956714-01-5), with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol. IUPAC: 3-[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
Property Insights of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid
The XLogP value of 4.29782 indicates that 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic 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-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic 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-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
The CAS number of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid is 956714-01-5.
What is the molecular formula of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
The molecular formula of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid is C14H11Cl3N2O2.
What is the molecular weight of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
The molecular weight of 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid is 343.99 g/mol.
Where can I buy 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
You can request a quote for 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic 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-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-chloro-1-(2,4-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.