CAS RN: 1458630-17-5
CHR 6494 trifluoroacetate
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251225 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20260411 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250521 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260206 | 250mg | Out of stock | Inquiry | |
| Batchno.20250503 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 50mg | In stock | Shenzhen | Inquiry |
| Batchno.20250703 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1458630-17-5
- Purity/Analytical Methods: >99.0%
1458630-17-5 / 3-(1H-indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
Basic Information
CAS
1458630-17-5
Multi CAS
No
Molecular Formula
C18H17F3N6O2
Molecular Weight
406.400000
Exact Mass
406.136508
SMILES
CCCNC1=NN2C(=NC=C2C3=CC4=C(C=C3)NN=C4)C=C1.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C16H16N6.C2HF3O2/c1-2-7-17-15-5-6-16-18-10-14(22(16)21-15)11-3-4-13-12(8-11)9-19-20-13;3-2(4,5)1(6)7/h3-6,8-10H,2,7H2,1H3,(H,17,21)(H,19,20);(H,6,7)
InChIKey
ILWYDZNXJQESDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
100.55
TPSA
108.2
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
3.73
Consensus LogP
3.59
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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