CAS RN: 1644545-52-7
PVM/MA
Product Availability
Choose a grade to view its available package options.
16 package records16 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260409 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260304 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250110 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260412 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251009 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250720 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250224 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20251209 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251203 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260430 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1644545-52-7
- Purity/Analytical Methods: >99.0%
1644545-52-7 / 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
Basic Information
CAS
1644545-52-7
Multi CAS
No
Molecular Formula
C14H13ClF6N6
Molecular Weight
414.740000
Exact Mass
414.079441
SMILES
C[C@H](C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)N[C@H](C)C(F)(F)F
InChI
InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
InChIKey
QCZAWDGAVJMPTA-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
86.35
TPSA
75.62
LogP / Solubility
WLOGP
4.31
MLOGP
3.82
XLogP3
5.3
Consensus LogP
4.48
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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