Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 1 In Stock | Beijing | Inquiry |
109497-00-9 / 6-phenyl-1H-indole-2,3-dione
6-Phenylisatin | 6-Phenylindoline-2,3-dione | MFCD29922364
Basic Information
CAS
109497-00-9
Multi CAS
No
Molecular Formula
C14H9NO2
Molecular Weight
223.230000
Exact Mass
223.063329
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)C(=O)N3
InChI
InChI=1S/C14H9NO2/c16-13-11-7-6-10(8-12(11)15-14(13)17)9-4-2-1-3-5-9/h1-8H,(H,15,16,17)
InChIKey
WBDQMTSHOJHWHX-UHFFFAOYSA-N
Synonyms
6-Phenylisatin
6-Phenylindoline-2,3-dione
MFCD29922364
6-phenyl-1H-indole-2,3-dione
CHEMBL1642677
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.84
TPSA
46.17
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.31
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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