CAS RN: 869572-92-9
ST 246
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250623 | 100mg | Out of stock | Inquiry | |
| Batchno.20250418 | 10mg | Out of stock | Inquiry | |
| Batchno.20251213 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250108 | 250mg | Out of stock | Inquiry | |
| Batchno.20260406 | 25mg | Out of stock | Inquiry | |
| Batchno.20260327 | 5mg | Out of stock | Inquiry | |
| Batchno.20250906 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS869572-92-9
- Purity/Analytical Methods: >99.0%
869572-92-9 / N-[(2R,6S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide
Basic Information
CAS
869572-92-9
Multi CAS
Yes
Molecular Formula
C19F3H15N2O3
Molecular Weight
376.300000
Exact Mass
376.103477
InChI
InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+
InChIKey
CSKDFZIMJXRJGH-VWLPUNTISA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
85.46
TPSA
66.48
LogP / Solubility
WLOGP
2.4
MLOGP
2.14
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
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
9
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