CAS RN: 1358099-18-9
1358099-18-9
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 100mg | Out of stock | Inquiry | |
| Batchno.20250705 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251010 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260311 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250205 | 50mg | Out of stock | Inquiry | |
| Batchno.20250317 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1358099-18-9
- Purity/Analytical Methods: >99.0%
1358099-18-9 / 1-(4-benzylpiperidin-1-yl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
Basic Information
CAS
1358099-18-9
Multi CAS
No
Molecular Formula
C26H31N7O
Molecular Weight
457.600000
Exact Mass
457.259009
SMILES
CC1=C(C(=NN1C2=NN3C(=NN=C3C=C2)C)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C26H31N7O/c1-18-23(19(2)32(29-18)25-11-10-24-28-27-20(3)33(24)30-25)9-12-26(34)31-15-13-22(14-16-31)17-21-7-5-4-6-8-21/h4-8,10-11,22H,9,12-17H2,1-3H3
InChIKey
HFKVRXVHZGBRKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
20
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
129.89
TPSA
81.21
LogP / Solubility
WLOGP
3.65
MLOGP
3.24
XLogP3
3.6
Consensus LogP
3.5
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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