CAS RN: 878419-78-4
Walrycin B
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250223 | 1mg / 5mg / 10mg / 25mg / 50mg | Confirm by inquiry | Shandong, Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS878419-78-4
- Purity/Analytical Methods: >99.0%
878419-78-4 / 1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Basic Information
CAS
878419-78-4
Multi CAS
Yes
Molecular Formula
C14F3H10N5O2
Molecular Weight
337.260000
Exact Mass
337.078659
InChI
InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
InChIKey
XRVMPTWWKLKLPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
77.37
TPSA
82.67
LogP / Solubility
WLOGP
1.06
MLOGP
0.95
XLogP3
1.9
Consensus LogP
1.3
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
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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