CAS RN: 2070015-22-2
ILK-IN-2
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250927 | 100mg | Out of stock | Inquiry | |
| Batchno.20260525 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250308 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250708 | 250mg | Out of stock | Inquiry | |
| Batchno.20251215 | 25mg | Out of stock | Inquiry | |
| Batchno.20260426 | 50mg | Out of stock | Inquiry | |
| Batchno.20250304 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250805 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2070015-22-2
- Purity/Analytical Methods: >99.0%
2070015-22-2 / N-methyl-3-[1-(4-piperazin-1-ylphenyl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-5-yl]propanamide
Basic Information
CAS
2070015-22-2
Multi CAS
No
Molecular Formula
C30H30F3N5O
Molecular Weight
533.600000
Exact Mass
533.240245
SMILES
CNC(=O)CCC1=CC(=NN1C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C30H30F3N5O/c1-34-29(39)15-14-27-20-28(36-38(27)26-12-10-25(11-13-26)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-13,20,35H,14-19H2,1H3,(H,34,39)
InChIKey
AJLOJUFSIDSBNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
146.91
TPSA
62.19
LogP / Solubility
WLOGP
5.31
MLOGP
4.72
XLogP3
5.1
Consensus LogP
5.04
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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