CAS RN: 24486-66-6
3-benzyl-1-methyl-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.20260404 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24486-66-6
- Purity/Analytical Methods: >99.0%
24486-66-6 / 3-benzyl-1-methylindole
Basic Information
CAS
24486-66-6
Multi CAS
No
Molecular Formula
C16H15N
Molecular Weight
221.300000
Exact Mass
221.120449
SMILES
CN1C=C(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C16H15N/c1-17-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,12H,11H2,1H3
InChIKey
KTQKQCHCOIXYJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.17
TPSA
4.93
LogP / Solubility
WLOGP
3.77
MLOGP
3.32
XLogP3
3.9
Consensus LogP
3.66
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
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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