CAS 418806-50-5 - C22H19ClN4O2
TL;DR: CAS 418806-50-5 - C22H19ClN4O2 (CAS 418806-50-5) is a chemical compound with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3-chlorophenyl)-5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
Also Known As: (Z)-4-((1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-3-methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C22H19ClN4O2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 4.24194 |
| Topological Polar Surface Area | 70.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.11966 |
| Heavy Atoms | 29 |
| Complexity | 1232.4434 |
Chemical Identifiers
| CAS Number | 418806-50-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)/C=C/3\C(=NN(C3=O)C4=CC(=CC=C4)Cl)C |
Product Overview
CAS 418806-50-5 - C22H19ClN4O2 (CAS 418806-50-5), with molecular formula C22H19ClN4O2 and molecular weight 406.12 g/mol. IUPAC: (4E)-2-(3-chlorophenyl)-5-methyl-4-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one.
Chemical Property Profile of CAS 418806-50-5 - C22H19ClN4O2
Property Insights of CAS 418806-50-5 - C22H19ClN4O2
The XLogP value of 4.24194 indicates that CAS 418806-50-5 - C22H19ClN4O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.46 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 418806-50-5 - C22H19ClN4O2. Following Lipinski's Rule of Five, CAS 418806-50-5 - C22H19ClN4O2 has 1 hydrogen bond donor(s) and 3 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 CAS 418806-50-5 - C22H19ClN4O2?
The CAS number of CAS 418806-50-5 - C22H19ClN4O2 is 418806-50-5.
What is the molecular formula of CAS 418806-50-5 - C22H19ClN4O2?
The molecular formula of CAS 418806-50-5 - C22H19ClN4O2 is C22H19ClN4O2.
What is the molecular weight of CAS 418806-50-5 - C22H19ClN4O2?
The molecular weight of CAS 418806-50-5 - C22H19ClN4O2 is 406.12 g/mol.
Where can I buy CAS 418806-50-5 - C22H19ClN4O2?
You can request a quote for CAS 418806-50-5 - C22H19ClN4O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 418806-50-5 - C22H19ClN4O2?
Yes, KEHONG BIO provides custom synthesis services for CAS 418806-50-5 - C22H19ClN4O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.