![(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide structure](/static/products/1164/1164510-76-2.webp)
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
TL;DR: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide (CAS 1164510-76-2) is a chemical compound with molecular formula C21H15Cl2FN4O2 and molecular weight 444.06 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]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
Also Known As: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide, 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
| Molecular Formula | C21H15Cl2FN4O2 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 5.1809 |
| Topological Polar Surface Area | 79.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.0556 |
| Heavy Atoms | 30 |
| Complexity | 1180.9524 |
Chemical Identifiers
| CAS Number | 1164510-76-2 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)OC)Cl)Cl)C3=CC=C(C=C3)F |
Product Overview
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide (CAS 1164510-76-2), with molecular formula C21H15Cl2FN4O2 and molecular weight 444.06 g/mol. IUPAC: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
Property Insights of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
The XLogP value of 5.1809 indicates that (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide has 1 hydrogen bond donor(s) and 4 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]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide?
The CAS number of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide is 1164510-76-2.
What is the molecular formula of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide?
The molecular formula of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide is C21H15Cl2FN4O2.
What is the molecular weight of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide?
The molecular weight of (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide is 444.06 g/mol.
Where can I buy (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide?
You can request a quote for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-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]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.