![CAS 1408087-64-8 3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408087-64-8.gif)
CAS RN: 1408087-64-8
3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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.20250918 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-051375
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 |
1408087-64-8 / 3-(3-fluoro-4-propan-2-yloxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic Information
CAS
1408087-64-8
Multi CAS
No
Molecular Formula
C14H14FN5O
Molecular Weight
287.290000
Exact Mass
287.118238
SMILES
CC(C)OC1=C(C=C(C=C1)C2=C3C(=NC=NC3=NN2)N)F
InChI
InChI=1S/C14H14FN5O/c1-7(2)21-10-4-3-8(5-9(10)15)12-11-13(16)17-6-18-14(11)20-19-12/h3-7H,1-2H3,(H3,16,17,18,19,20)
InChIKey
LEHSDCUTLMLWLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.25
TPSA
89.71
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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