CAS RN: 744219-44-1
Tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate
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.20250731 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT927379
744219-44-1 / tert-butyl 4-(3-iodo-2H-indazol-6-yl)piperazine-1-carboxylate
Basic Information
CAS
744219-44-1
Multi CAS
Yes
Molecular Formula
C16H21In4O2
Molecular Weight
428.270000
Exact Mass
428.070920
InChI
InChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)21-8-6-20(7-9-21)11-4-5-12-13(10-11)18-19-14(12)17/h4-5,10H,6-9H2,1-3H3,(H,18,19)
InChIKey
PPEIKYPYQKCFHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.83
TPSA
61.46
LogP / Solubility
WLOGP
3.22
MLOGP
2.87
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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