CAS RN: 196205-06-8
4-Methyl-5-aminoindole
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.20260303 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS196205-06-8
- Purity/Analytical Methods: >99.0%
196205-06-8 / 4-methyl-1H-indol-5-amine
Basic Information
CAS
196205-06-8
Multi CAS
No
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
SMILES
CC1=C(C=CC2=C1C=CN2)N
InChI
InChI=1S/C9H10N2/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,10H2,1H3
InChIKey
LLUMZCODEQVYRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
H-bond donors
2
Molar refractivity
47.45
TPSA
41.81
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
1.7
Consensus LogP
1.86
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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