![CAS 955368-90-8 2-allyl-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955368-90-8.gif)
CAS RN: 955368-90-8
2-allyl-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-210974
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: 1g, 5g, 10g, 25g, 100g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 2 In Stock | Hong Kong | Inquiry |
955368-90-8 / 6-methylsulfanyl-2-prop-2-enyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
Basic Information
CAS
955368-90-8
Multi CAS
Yes
Molecular Formula
C9H10N4OS
Molecular Weight
222.270000
Exact Mass
222.057532
InChI
InChI=1S/C9H10N4OS/c1-3-4-13-8(14)6-5-10-9(15-2)11-7(6)12-13/h3,5H,1,4H2,2H3,(H,10,11,12)
InChIKey
JKBQCALHIQOSTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.13
TPSA
63.57
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.4
Consensus LogP
1.11
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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