![(2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid structure](/static/products/1006/1006441-66-2.webp)
(2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
TL;DR: (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 1006441-66-2) 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.
(E)-3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid
Also Known As: (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid, 3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid, 3-[5-chloro-1-(2,6-dichlorobenzyl)-3-methyl-1H-pyrazol-4-yl]acrylic acid, (E)-3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid, (E)-3-(5-CHLORO-1-(2,6-DICHLOROBENZYL)-3-METHYL-1H-PYRAZOL-4-YL)ACRYLIC 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 | 702.99945 |
Chemical Identifiers
| CAS Number | 1006441-66-2 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)O)Cl)CC2=C(C=CC=C2Cl)Cl |
Product Overview
(2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid (CAS 1006441-66-2), with molecular formula C14H11Cl3N2O2 and molecular weight 343.99 g/mol. IUPAC: (E)-3-[5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
Property Insights of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid
The XLogP value of 4.29782 indicates that (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-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, (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-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, (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-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 (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The CAS number of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid is 1006441-66-2.
What is the molecular formula of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular formula of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid is C14H11Cl3N2O2.
What is the molecular weight of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
The molecular weight of (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid is 343.99 g/mol.
Where can I buy (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
You can request a quote for (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-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 (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{5-chloro-1-[(2,6-dichlorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.