CAS RN: 28668-95-3
9H-1,3,4,9-TETRAAZA-FLUORENE-2-THIOL
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.20251231 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28668-95-3
- Purity/Analytical Methods: >99.0%
28668-95-3 / 2,9a-dihydro-[1,2,4]triazino[5,6-b]indole-3-thione
Basic Information
CAS
28668-95-3
Multi CAS
Yes
Molecular Formula
C9H6N4S
Molecular Weight
202.240000
Exact Mass
202.031317
InChI
InChI=1S/C9H6N4S/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8/h1-5H,(H,11,13,14)
InChIKey
WLSWBYGSUPIWIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.33
TPSA
53.93
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.1
Consensus LogP
1.51
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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