![CAS 955368-93-1 2-isopropyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955368-93-1.gif)
CAS RN: 955368-93-1
2-isopropyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
- Product code: SSC-210975
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
955368-93-1 / 6-methylsulfanyl-2-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidin-3-one
Basic Information
CAS
955368-93-1
Multi CAS
Yes
Molecular Formula
C9H12N4OS
Molecular Weight
224.290000
Exact Mass
224.073182
InChI
InChI=1S/C9H12N4OS/c1-5(2)13-8(14)6-4-10-9(15-3)11-7(6)12-13/h4-5H,1-3H3,(H,10,11,12)
InChIKey
IXDYRENQELLJKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.31
TPSA
63.57
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 955369-56-9 2-allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/955369-56-9.gif)
