CAS RN: 65836-82-0
1-benzyl-5-methoxy-2,3-dihydro-1H-indol-2-one
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.20251219 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS65836-82-0
- Purity/Analytical Methods: >99.0%
65836-82-0 / 1-benzyl-5-methoxy-3H-indol-2-one
Basic Information
CAS
65836-82-0
Multi CAS
No
Molecular Formula
C16H15NO2
Molecular Weight
253.290000
Exact Mass
253.110279
InChI
InChI=1S/C16H15NO2/c1-19-14-7-8-15-13(9-14)10-16(18)17(15)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
InChIKey
KLGVDGROAJYVDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
74.33
TPSA
29.54
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
2.4
Consensus LogP
2.55
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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