CAS RN: 412049-06-0
5-(4-Methylpiperazin-1-yl)-1H-indole
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.20260514 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS412049-06-0
- Purity/Analytical Methods: >99.0%
412049-06-0 / 5-(4-methylpiperazin-1-yl)-1H-indole
Basic Information
CAS
412049-06-0
Multi CAS
No
Molecular Formula
C13H17N3
Molecular Weight
215.290000
Exact Mass
215.142248
InChI
InChI=1S/C13H17N3/c1-15-6-8-16(9-7-15)12-2-3-13-11(10-12)4-5-14-13/h2-5,10,14H,6-9H2,1H3
InChIKey
QCBUZBCDMSMRJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.01
TPSA
22.27
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
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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