ChemDiv1_021908
TL;DR: ChemDiv1_021908 (CAS 357623-45-1) is a chemical compound with molecular formula C28H23F3N4O2 and molecular weight 504.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: ChemDiv1_021908, BIM-0049648.P001, 4,4'-((2-(trifluoromethyl)phenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol), 4,4'-{[2-(trifluoromethyl)phenyl]methanediyl}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol), 4,4'-{[2-(trifluoromethyl)phenyl]methylene}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
| Molecular Formula | C28H23F3N4O2 |
|---|---|
| Molecular Weight | 504.18 g/mol |
| LogP | 5.46044 |
| Topological Polar Surface Area | 75.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.1773 |
| Heavy Atoms | 37 |
| Complexity | 1578.9108 |
Chemical Identifiers
| CAS Number | 357623-45-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3C(F)(F)F)C4=C(NN(C4=O)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_021908 (CAS 357623-45-1), with molecular formula C28H23F3N4O2 and molecular weight 504.18 g/mol. IUPAC: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)phenyl]methyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_021908
Property Insights of ChemDiv1_021908
The XLogP value of 5.46044 indicates that ChemDiv1_021908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021908. Following Lipinski's Rule of Five, ChemDiv1_021908 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021908?
The CAS number of ChemDiv1_021908 is 357623-45-1.
What is the molecular formula of ChemDiv1_021908?
The molecular formula of ChemDiv1_021908 is C28H23F3N4O2.
What is the molecular weight of ChemDiv1_021908?
The molecular weight of ChemDiv1_021908 is 504.18 g/mol.
Where can I buy ChemDiv1_021908?
You can request a quote for ChemDiv1_021908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021908?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.