![CAS 6765-52-2 3-hydroxy-3-[2-(2-naphthyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6765-52-2.gif)
CAS RN: 6765-52-2
3-hydroxy-3-[2-(2-naphthyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250403 | 5mg / 10mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6765-52-2
- Purity/Analytical Methods: >99.0%
6765-52-2 / 3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
Basic Information
CAS
6765-52-2
Multi CAS
No
Molecular Formula
C20H15NO3
Molecular Weight
317.300000
Exact Mass
317.105193
InChI
InChI=1S/C20H15NO3/c22-18(15-10-9-13-5-1-2-6-14(13)11-15)12-20(24)16-7-3-4-8-17(16)21-19(20)23/h1-11,24H,12H2,(H,21,23)
InChIKey
IVAVELBVHXCUDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
91.86
TPSA
66.4
LogP / Solubility
WLOGP
3.25
MLOGP
2.88
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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