CAS RN: 346577-65-9
1-Benzyl-5-Ethoxy-1,3-Dihydro-Indol-2-One(WXC02966)
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.20260424 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS346577-65-9
- Purity/Analytical Methods: >99.0%
346577-65-9 / 1-benzyl-5-ethoxy-3H-indol-2-one
Basic Information
CAS
346577-65-9
Multi CAS
No
Molecular Formula
C17H17NO2
Molecular Weight
267.320000
Exact Mass
267.125929
InChI
InChI=1S/C17H17NO2/c1-2-20-15-8-9-16-14(10-15)11-17(19)18(16)12-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3
InChIKey
DWWBDFKXPPTLRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
78.95
TPSA
29.54
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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