CAS RN: 131633-88-0
1H-Indazole, 3-(1-piperazinyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS131633-88-0
- Purity/Analytical Methods: >99.0%
131633-88-0 / 3-piperazin-1-yl-1H-indazole
Basic Information
CAS
131633-88-0
Multi CAS
No
Molecular Formula
C11H14N4
Molecular Weight
202.260000
Exact Mass
202.121846
SMILES
C1CN(CCN1)C2=NNC3=CC=CC=C32
InChI
InChI=1S/C11H14N4/c1-2-4-10-9(3-1)11(14-13-10)15-7-5-12-6-8-15/h1-4,12H,5-8H2,(H,13,14)
InChIKey
HCNSJWYUKDBQNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.18
TPSA
43.95
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
1.4
Consensus LogP
1.08
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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