![CAS 2442597-56-8 Benzamide, 4-fluoro-3-[[[5-(1-methyl-1H-pyrazol-3-yl)-3-pyridinyl]methyl]amino]-N-[3-(trifluoromethoxy)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2442597-56-8.gif)
CAS RN: 2442597-56-8
Benzamide, 4-fluoro-3-[[[5-(1-methyl-1H-pyrazol-3-yl)-3-pyridinyl]methyl]amino]-N-[3-(trifluoromethoxy)phenyl]-
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260407 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260127 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250826 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250315 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260530 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2442597-56-8
- Purity/Analytical Methods: >99.0%
2442597-56-8 / 4-fluoro-3-[[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide
Basic Information
CAS
2442597-56-8
Multi CAS
No
Molecular Formula
C24H19F4N5O2
Molecular Weight
485.400000
Exact Mass
485.147488
SMILES
CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F
InChI
InChI=1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,31,34)
InChIKey
IZKVIUJIUTXIRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
23
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
121.24
TPSA
81.07
LogP / Solubility
WLOGP
5.38
MLOGP
4.77
XLogP3
4.4
Consensus LogP
4.85
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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