![3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid structure](/static/products/1006/1006441-70-8.webp)
3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid
TL;DR: 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 1006441-70-8) is a chemical compound with molecular formula C15H14Cl2N2O2 and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid
Also Known As: (2E)-3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid, 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid, (2E)-3-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylic acid, (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid, 3-(1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1h-pyrazol-4-yl)acrylic acid
| Molecular Formula | C15H14Cl2N2O2 |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 3.95284 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.04324 |
| Heavy Atoms | 21 |
| Complexity | 700.454 |
Chemical Identifiers
| CAS Number | 1006441-70-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)/C=C/C(=O)O |
Product Overview
3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 1006441-70-8), with molecular formula C15H14Cl2N2O2 and molecular weight 324.04 g/mol. IUPAC: (E)-3-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid
Property Insights of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid
The XLogP value of 3.95284 indicates that 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-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-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-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-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-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-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The CAS number of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid is 1006441-70-8.
What is the molecular formula of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular formula of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid is C15H14Cl2N2O2.
What is the molecular weight of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular weight of 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid is 324.04 g/mol.
Where can I buy 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid?
You can request a quote for 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-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-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.