CAS RN: 252061-66-8
1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy- (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-120948
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: 3
- 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% | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
252061-66-8 / 6-hydroxy-2,3-dihydroisoindol-1-one
Basic Information
CAS
252061-66-8
Multi CAS
No
Molecular Formula
C8H7NO2
Molecular Weight
149.150000
Exact Mass
149.047678
SMILES
C1C2=C(C=C(C=C2)O)C(=O)N1
InChI
InChI=1S/C8H7NO2/c10-6-2-1-5-4-9-8(11)7(5)3-6/h1-3,10H,4H2,(H,9,11)
InChIKey
YGEDYDDFFVHFEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.28
TPSA
49.33
LogP / Solubility
WLOGP
0.64
MLOGP
0.55
XLogP3
0.4
Consensus LogP
0.53
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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