![(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide structure](/static/products/100/1007640-66-5.png)
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
TL;DR: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide (CAS 1007640-66-5) is a chemical compound with molecular formula C22H18ClFN4O and molecular weight 408.12 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]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
Also Known As: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
| Molecular Formula | C22H18ClFN4O |
|---|---|
| Molecular Weight | 408.12 g/mol |
| LogP | 5.13574 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.11533 |
| Heavy Atoms | 29 |
| Complexity | 1136.5408 |
Chemical Identifiers
| CAS Number | 1007640-66-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl)/C#N |
Product Overview
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide (CAS 1007640-66-5), with molecular formula C22H18ClFN4O and molecular weight 408.12 g/mol. IUPAC: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
Property Insights of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
The XLogP value of 5.13574 indicates that (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The CAS number of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is 1007640-66-5.
What is the molecular formula of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The molecular formula of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is C22H18ClFN4O.
What is the molecular weight of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
The molecular weight of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide is 408.12 g/mol.
Where can I buy (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
You can request a quote for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.