CAS RN: 13523-93-8
4-(Benzyloxy)-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.20250903 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13523-93-8
- Purity/Analytical Methods: >99.0%
13523-93-8 / 1-methyl-4-phenylmethoxyindole
Basic Information
CAS
13523-93-8
Multi CAS
No
Molecular Formula
C16H15NO
Molecular Weight
237.300000
Exact Mass
237.115364
SMILES
CN1C=CC2=C1C=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c1-17-11-10-14-15(17)8-5-9-16(14)18-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKey
LNDAWVOJQQXZTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.69
TPSA
14.16
LogP / Solubility
WLOGP
3.76
MLOGP
3.31
XLogP3
3.5
Consensus LogP
3.52
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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