CAS RN: 1384071-99-1
AD80
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250117 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251020 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250816 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250214 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260119 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-048332
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1384071-99-1 / 1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Basic Information
CAS
1384071-99-1
Multi CAS
No
Molecular Formula
C22H19F4N7O
Molecular Weight
473.400000
Exact Mass
473.158721
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)N
InChI
InChI=1S/C22H19F4N7O/c1-11(2)33-20-17(19(27)28-10-29-20)18(32-33)12-3-6-14(7-4-12)30-21(34)31-16-9-13(22(24,25)26)5-8-15(16)23/h3-11H,1-2H3,(H2,27,28,29)(H2,30,31,34)
InChIKey
CYORWDWRQMVGHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
119.6
TPSA
110.75
LogP / Solubility
WLOGP
5.46
MLOGP
4.84
XLogP3
3.7
Consensus LogP
4.67
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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