ChemDiv1_022040
TL;DR: ChemDiv1_022040 (CAS 292640-10-9) is a chemical compound with molecular formula C34H27FN4O4 and molecular weight 574.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-fluorobenzoate
Also Known As: ChemDiv1_022040, BIM-0019716.P001, 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 2-fluorobenzoate, 4-(bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)phenyl 2-fluorobenzoate, [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-fluorobenzoate
| Molecular Formula | C34H27FN4O4 |
|---|---|
| Molecular Weight | 574.20 g/mol |
| LogP | 5.79994 |
| Topological Polar Surface Area | 101.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.20166 |
| Heavy Atoms | 43 |
| Complexity | 1940.9636 |
Chemical Identifiers
| CAS Number | 292640-10-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F)C5=C(NN(C5=O)C6=CC=CC=C6)C |
Product Overview
ChemDiv1_022040 (CAS 292640-10-9), with molecular formula C34H27FN4O4 and molecular weight 574.20 g/mol. IUPAC: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]phenyl] 2-fluorobenzoate.
Chemical Property Profile of ChemDiv1_022040
Property Insights of ChemDiv1_022040
The XLogP value of 5.79994 indicates that ChemDiv1_022040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022040. Following Lipinski's Rule of Five, ChemDiv1_022040 has 2 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 ChemDiv1_022040?
The CAS number of ChemDiv1_022040 is 292640-10-9.
What is the molecular formula of ChemDiv1_022040?
The molecular formula of ChemDiv1_022040 is C34H27FN4O4.
What is the molecular weight of ChemDiv1_022040?
The molecular weight of ChemDiv1_022040 is 574.20 g/mol.
Where can I buy ChemDiv1_022040?
You can request a quote for ChemDiv1_022040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022040?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.