CAS RN: 594827-31-3
1-(1-PYRIDIN-2-YLMETHYL-PIPERIDIN-4-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.20250803 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS594827-31-3
- Purity/Analytical Methods: >99.0%
594827-31-3 / 1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indole
Basic Information
CAS
594827-31-3
Multi CAS
No
Molecular Formula
C19H21N3
Molecular Weight
291.400000
Exact Mass
291.173548
InChI
InChI=1S/C19H21N3/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/h1-8,11,14,18H,9-10,12-13,15H2
InChIKey
MGBMPPPTIOOZPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
89.72
TPSA
21.06
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3
Consensus LogP
3.43
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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