![CAS 64259-05-8 2H-Indol-2-one, 1,3-dihydro-3-[(5-methyl-2-furanyl)methylene]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64259-05-8.gif)
CAS RN: 64259-05-8
2H-Indol-2-one, 1,3-dihydro-3-[(5-methyl-2-furanyl)methylene]-
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.20251223 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS64259-05-8
- Purity/Analytical Methods: >99.0%
64259-05-8 / (3E)-3-[(5-methylfuran-2-yl)methylidene]-1H-indol-2-one
Basic Information
CAS
64259-05-8
Multi CAS
Yes
Molecular Formula
C14H11NO2
Molecular Weight
225.240000
Exact Mass
225.078979
InChI
InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
InChIKey
DWJWWZSAYOTJGO-XYOKQWHBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.39
TPSA
42.24
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
2.4
Consensus LogP
2.73
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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