CAS RN: 1628730-49-3
Praliciguat
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250418 | 1mg / 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250727 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250601 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250401 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250919 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251123 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251030 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1628730-49-3
- Purity/Analytical Methods: >99.0%
1628730-49-3 / 1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]methyl]propan-2-ol
Basic Information
CAS
1628730-49-3
Multi CAS
No
Molecular Formula
C21H14F8N6O2
Molecular Weight
534.400000
Exact Mass
534.105049
SMILES
C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=NC=C(C(=N3)NCC(C(F)(F)F)(C(F)(F)F)O)F)C4=NOC=C4)F
InChI
InChI=1S/C21H14F8N6O2/c22-12-4-2-1-3-11(12)9-35-16(14-5-6-37-34-14)7-15(33-35)18-30-8-13(23)17(32-18)31-10-19(36,20(24,25)26)21(27,28)29/h1-8,36H,9-10H2,(H,30,31,32)
InChIKey
CYSJNTQNMDWAJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
22
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
109.76
TPSA
101.89
LogP / Solubility
WLOGP
4.59
MLOGP
4.08
XLogP3
3.9
Consensus LogP
4.19
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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