CAS RN: 877963-94-5
LOC-14
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250217 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260515 | 10mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251111 | 1g | Out of stock | Inquiry | |
| Batchno.20260407 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260128 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260330 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251115 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS877963-94-5
- Purity/Analytical Methods: >99.0%
877963-94-5 / 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
Basic Information
CAS
877963-94-5
Multi CAS
No
Molecular Formula
C16H19N3O2S
Molecular Weight
317.400000
Exact Mass
317.119798
InChI
InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
InChIKey
YVBSNHLFRIVWFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.96
TPSA
45.55
LogP / Solubility
WLOGP
1.57
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.42
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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