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CAS RN: 33923-98-7
2-amino-9H-thioxanthen-9-one
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.20250207 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS33923-98-7
- Purity/Analytical Methods: >99.0%
33923-98-7 / 2-aminothioxanthen-9-one
Basic Information
CAS
33923-98-7
Multi CAS
No
Molecular Formula
C13H9NOS
Molecular Weight
227.280000
Exact Mass
227.040485
InChI
InChI=1S/C13H9NOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H,14H2
InChIKey
WKQHDJCDUTWHNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.01
TPSA
43.09
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3.3
Consensus LogP
2.98
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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
1.5
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