CAS RN: 36894-61-8
Acetamide, N-5-benzothiazolyl- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS36894-61-8
- Purity/Analytical Methods: >99.0%
36894-61-8 / N-(1,3-benzothiazol-5-yl)acetamide
Basic Information
CAS
36894-61-8
Multi CAS
Yes
Molecular Formula
C9H8N2OS
Molecular Weight
192.240000
Exact Mass
192.035734
InChI
InChI=1S/C9H8N2OS/c1-6(12)11-7-2-3-9-8(4-7)10-5-13-9/h2-5H,1H3,(H,11,12)
InChIKey
HXMDFSDFQBOIKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.92
TPSA
41.99
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.6
Consensus LogP
1.94
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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