CAS RN: 2426-59-7
6-(Benzyloxy)-5-methoxy-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.20251013 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2426-59-7
- Purity/Analytical Methods: >99.0%
2426-59-7 / 5-methoxy-6-phenylmethoxy-1H-indole
Basic Information
CAS
2426-59-7
Multi CAS
No
Molecular Formula
C16H15NO2
Molecular Weight
253.290000
Exact Mass
253.110279
SMILES
COC1=C(C=C2C(=C1)C=CN2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H15NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
InChIKey
YPRAMYRRNNYGSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.62
TPSA
34.25
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)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-1.6
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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