![CAS 2060594-39-8 1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2060594-39-8.png)
CAS RN: 2060594-39-8
1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260101 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-097167
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 |
2060594-39-8 / 1-propan-2-ylpyrazolo[3,4-d]pyrimidine-6-carboxylic acid
Basic Information
CAS
2060594-39-8
Multi CAS
No
Molecular Formula
C9H10N4O2
Molecular Weight
206.200000
Exact Mass
206.080376
SMILES
CC(C)N1C2=NC(=NC=C2C=N1)C(=O)O
InChI
InChI=1S/C9H10N4O2/c1-5(2)13-8-6(4-11-13)3-10-7(12-8)9(14)15/h3-5H,1-2H3,(H,14,15)
InChIKey
CKDBGYUCRNBGEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.67
TPSA
80.9
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
0.7
Consensus LogP
0.93
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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