![CAS 5334-35-0 6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5334-35-0.gif)
CAS RN: 5334-35-0
6-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
- Product code: SSC-160632
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, 0.1g, 0.25g, 5g, 10g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
5334-35-0 / 6-chloro-1-methyl-3aH-pyrazolo[3,4-d]pyrimidin-4-one
Basic Information
CAS
5334-35-0
Multi CAS
Yes
Molecular Formula
C6H5CLN4O
Molecular Weight
184.580000
Exact Mass
184.015189
InChI
InChI=1S/C6H5ClN4O/c1-11-4-3(2-8-11)5(12)10-6(7)9-4/h2H,1H3,(H,9,10,12)
InChIKey
ZEOTVBXCUMNWLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.33
H-bond acceptors
4
Molar refractivity
45.48
TPSA
57.39
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
0.2
Consensus LogP
0.11
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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