CAS RN: 78338-22-4
CI 52000
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250401 | 100g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250610 | 1g | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20250420 | 1g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20250711 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260227 | 25g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250920 | 25g | Out of stock | Inquiry | ||
| Batchno.20250320 | 5g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20260510 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS78338-22-4
- Purity/Analytical Methods: >99.0%
78338-22-4 / (7-aminophenothiazin-3-ylidene)azanium acetate
Basic Information
CAS
78338-22-4
Multi CAS
Yes
Molecular Formula
C14H13N3O2S
Molecular Weight
287.340000
Exact Mass
287.072848
InChI
InChI=1S/C12H9N3S.C2H4O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;1-2(3)4/h1-6,13H,14H2;1H3,(H,3,4)
InChIKey
JOIRQYHDJINFGA-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.4
TPSA
104.63
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.52
XLogP3
-0.6
Consensus LogP
-0.57
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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