CAS RN: 84807-10-3
1H-Indole, 7-(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.20250728 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84807-10-3
- Purity/Analytical Methods: >99.0%
84807-10-3 / 7-piperazin-1-yl-1H-indole
Basic Information
CAS
84807-10-3
Multi CAS
No
Molecular Formula
C12H15N3
Molecular Weight
201.270000
Exact Mass
201.126597
InChI
InChI=1S/C12H15N3/c1-2-10-4-5-14-12(10)11(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKey
XKDAUEWDPSMDGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.38
TPSA
31.06
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.5
Consensus LogP
1.49
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.83
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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