CAS RN: 1374828-69-9
GNE-0877
Product Availability
Choose a grade to view its available package options.
13 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250129 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260326 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260327 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250221 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250908 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250510 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250203 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 1ml | In stock | Inquiry |
- Product code: SSC-047117
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: 0.05g
- 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 |
|---|---|---|---|---|
| 0.05g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1374828-69-9 / 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
Basic Information
CAS
1374828-69-9
Multi CAS
No
Molecular Formula
C14H16F3N7
Molecular Weight
339.320000
Exact Mass
339.141928
SMILES
CC1=NN(C=C1NC2=NC=C(C(=N2)NC)C(F)(F)F)C(C)(C)C#N
InChI
InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
InChIKey
ZPPUMAMZIMPJGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
81.76
TPSA
91.45
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
2.5
Consensus LogP
2.75
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly 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)
-2.63
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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![CAS 1374831-02-3 4-Chloro-2-(trifluoroMethyl)thieno[2,3-d]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1374831-02-3.gif)
