CAS RN: 616898-68-1
1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)indoline
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.20250718 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS616898-68-1
- Purity/Analytical Methods: >99.0%
616898-68-1 / 1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydroindole
Basic Information
CAS
616898-68-1
Multi CAS
No
Molecular Formula
C19H23N3
Molecular Weight
293.400000
Exact Mass
293.189198
InChI
InChI=1S/C19H23N3/c1-2-7-19-16(5-1)8-14-22(19)18-9-12-21(13-10-18)15-17-6-3-4-11-20-17/h1-7,11,18H,8-10,12-15H2
InChIKey
QLVUEUKSHOBYDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
90.03
TPSA
19.37
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.1
Consensus LogP
2.99
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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