CAS RN: 36798-25-1
C-(2-METHYL-1H-INDOL-5-YL)-METHYLAMINE
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.20250311 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS36798-25-1
- Purity/Analytical Methods: >99.0%
36798-25-1 / (2-methyl-1H-indol-5-yl)methanamine
Basic Information
CAS
36798-25-1
Multi CAS
Yes
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
InChI
InChI=1S/C10H12N2/c1-7-4-9-5-8(6-11)2-3-10(9)12-7/h2-5,12H,6,11H2,1H3
InChIKey
OZQPOLJBMYZUOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50.93
TPSA
41.81
LogP / Solubility
WLOGP
1.94
MLOGP
1.7
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.32
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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