CAS RN: 2190680-18-1
Lurasidone Impurity 24
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2190680-18-1
- Purity/Analytical Methods: >99.0%
2190680-18-1 / 3-(4-methylsulfonylpiperazin-1-yl)-1,2-benzothiazole
Basic Information
CAS
2190680-18-1
Multi CAS
No
Molecular Formula
C12H15N3O2S2
Molecular Weight
297.400000
Exact Mass
297.060569
SMILES
CS(=O)(=O)N1CCN(CC1)C2=NSC3=CC=CC=C32
InChI
InChI=1S/C12H15N3O2S2/c1-19(16,17)15-8-6-14(7-9-15)12-10-4-2-3-5-11(10)18-13-12/h2-5H,6-9H2,1H3
InChIKey
LPOGLSYQBISWGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
78.25
TPSA
53.51
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
1.8
Consensus LogP
1.47
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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