CAS RN: 173150-61-3
1H-Indole, 4-fluoro-3-(4-piperidinyl)-
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.20260330 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS173150-61-3
- Purity/Analytical Methods: >99.0%
173150-61-3 / 4-fluoro-3-piperidin-4-yl-1H-indole
Basic Information
CAS
173150-61-3
Multi CAS
No
Molecular Formula
C13H15FN2
Molecular Weight
218.270000
Exact Mass
218.121927
SMILES
C1CNCCC1C2=CNC3=C2C(=CC=C3)F
InChI
InChI=1S/C13H15FN2/c14-11-2-1-3-12-13(11)10(8-16-12)9-4-6-15-7-5-9/h1-3,8-9,15-16H,4-7H2
InChIKey
DEIYMTQMNDLJHX-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
1
H-bond donors
2
Molar refractivity
63.1
TPSA
27.82
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
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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