![CAS 1095822-30-2 1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1095822-30-2.gif)
CAS RN: 1095822-30-2
1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4-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.20260502 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-010950
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 | Shanghai | Inquiry |
1095822-30-2 / 1-methylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid
1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-CARBOXYLIC ACID | MFCD16619896 | 1-methylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid
Basic Information
CAS
1095822-30-2
Multi CAS
No
Molecular Formula
C7H6N4O2
Molecular Weight
178.150000
Exact Mass
178.049075
SMILES
CN1C2=NC=NC(=C2C=N1)C(=O)O
InChI
InChI=1S/C7H6N4O2/c1-11-6-4(2-10-11)5(7(12)13)8-3-9-6/h2-3H,1H3,(H,12,13)
InChIKey
PZXHTCLSLSBBIU-UHFFFAOYSA-N
Synonyms
1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4-CARBOXYLIC ACID
MFCD16619896
1-methylpyrazolo[3,4-d]pyrimidine-4-carboxylic acid
SCHEMBL12590757
VTB82230
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.26
TPSA
80.9
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
Consensus LogP
0.04
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.76
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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