![CAS 221243-82-9 4-AMINO-1-TERT-BUTYL-3-(1′-NAPHTHYL)PYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221243-82-9.gif)
CAS RN: 221243-82-9
4-AMINO-1-TERT-BUTYL-3-(1′-NAPHTHYL)PYRAZOLO[3,4-D]PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 100mg | In stock | Inquiry | |
| Batchno.20250923 | 10mg | In stock | Inquiry | |
| Batchno.20250614 | 25mg | In stock | Inquiry | |
| Batchno.20260228 | 50mg | Out of stock | Inquiry | |
| Batchno.20250921 | 5mg | In stock | Inquiry | |
| Batchno.20251212 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS221243-82-9
- Purity/Analytical Methods: >99.0%
221243-82-9 / 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
Basic Information
CAS
221243-82-9
Multi CAS
No
Molecular Formula
C19H19N5
Molecular Weight
317.400000
Exact Mass
317.164046
SMILES
CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N
InChI
InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
InChIKey
XSHQBIXMLULFEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
97.67
TPSA
69.62
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.6
Consensus LogP
3.7
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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