![CAS 1288338-95-3 (R)-1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1288338-95-3.gif)
CAS RN: 1288338-95-3
(R)-1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone
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.20250328 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-035975
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: 0.25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1288338-95-3 / 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone
Basic Information
CAS
1288338-95-3
Multi CAS
No
Molecular Formula
C24H24N6O2
Molecular Weight
428.500000
Exact Mass
428.196074
SMILES
CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C24H24N6O2/c1-16(31)29-13-5-6-18(14-29)30-24-21(23(25)26-15-27-24)22(28-30)17-9-11-20(12-10-17)32-19-7-3-2-4-8-19/h2-4,7-12,15,18H,5-6,13-14H2,1H3,(H2,25,26,27)/t18-/m1/s1
InChIKey
UGQZHVLBHJPPMY-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
122.21
TPSA
99.16
LogP / Solubility
WLOGP
4.05
MLOGP
3.59
XLogP3
3
Consensus LogP
3.55
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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