CAS RN: 148806-52-4
2-(1H-indol-1-yl)-N-methylethanamine(SALTDATA: oxalate)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS148806-52-4
- Purity/Analytical Methods: >99.0%
148806-52-4 / 2-indol-1-yl-N-methylethanamine
Basic Information
CAS
148806-52-4
Multi CAS
No
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
SMILES
CNCCN1C=CC2=CC=CC=C21
InChI
InChI=1S/C11H14N2/c1-12-7-9-13-8-6-10-4-2-3-5-11(10)13/h2-6,8,12H,7,9H2,1H3
InChIKey
UQUBPLJUCVWGOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.86
TPSA
16.96
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
2.2
Consensus LogP
1.9
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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