CAS RN: 501104-16-1
Lalistat 1
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12 package records11 with current stock3 grade groups
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| Batchno.20250219 |
10mg |
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| Batchno.20250126 |
10mg |
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| Batchno.20260419 |
25mg |
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| Batchno.20250706 |
50mg |
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| Batchno.20250831 |
5mg |
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| Batchno.20260510 |
100mg |
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10mg |
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| Batchno.20251210 |
1mg |
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| Batchno.20260520 |
250mg |
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| Batchno.20250722 |
25mg |
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| Batchno.20250609 |
50mg |
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| Batchno.20250710 |
5mg |
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Product code:
starshine_CAS501104-16-1
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Purity/Analytical Methods:
>99.0%
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501104-16-1 / (4-piperidin-1-yl-1,2,5-thiadiazol-3-yl) morpholine-4-carboxylate
Standard CAS: 501104-16-1
Multi CAS: No
Basic Information
CAS
501104-16-1
Multi CAS
No
Molecular Formula
C12H18N4O3S
Molecular Weight
298.360000
Exact Mass
298.109962
InChI
InChI=1S/C12H18N4O3S/c17-12(16-6-8-18-9-7-16)19-11-10(13-20-14-11)15-4-2-1-3-5-15/h1-9H2
InChIKey
XAWUWPUYJUOUOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
74.39
TPSA
67.79
LogP / Solubility
WLOGP
1.36
MLOGP
1.21
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5