CAS RN: 41814-78-2
Tricyclazol solution, 100μg/mL,u=2%,in methanol
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260301 | 1ml | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 1ml | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 1ml | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250427 | 1ml | In stock | Inquiry |
- Product code: LINT819452
41814-78-2 / 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Basic Information
CAS
41814-78-2
Multi CAS
Yes
Molecular Formula
C9H7N3S
Molecular Weight
189.240000
Exact Mass
189.036068
InChI
InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
InChIKey
DQJCHOQLCLEDLL-UHFFFAOYSA-N
Physical Properties
Melting Point
187 - 188 °C
Boiling Point
275.00 °C. @ 760.00 mm Hg
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Fraction Csp3
0.11
H-bond acceptors
4
Molar refractivity
53.11
TPSA
30.19
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.28
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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