CAS RN: 1420367-28-7
Lp-PLA2 -IN-1
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260627 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420367-28-7
- Purity/Analytical Methods: >99.0%
1420367-28-7 / 8-[[3,5-difluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
Basic Information
CAS
1420367-28-7
Multi CAS
No
Molecular Formula
C21H17F5N4O3
Molecular Weight
468.400000
Exact Mass
468.122081
SMILES
CN1CCCN2C1=CC(=NC2=O)OCC3=CC(=C(C(=C3)F)OC4=CN=C(C=C4)C(F)(F)F)F
InChI
InChI=1S/C21H17F5N4O3/c1-29-5-2-6-30-18(29)9-17(28-20(30)31)32-11-12-7-14(22)19(15(23)8-12)33-13-3-4-16(27-10-13)21(24,25)26/h3-4,7-10H,2,5-6,11H2,1H3
InChIKey
QJIGPJZJKXZSNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
106.39
TPSA
69.48
LogP / Solubility
WLOGP
4.15
MLOGP
3.68
XLogP3
3.4
Consensus LogP
3.74
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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