CAS RN: 135704-54-0
BTQBT (purified by subliMation)
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.20250206 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS135704-54-0
- Purity/Analytical Methods: >99.0%
135704-54-0 / 4,8-bis(1,3-dithiol-2-ylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazole
Basic Information
CAS
135704-54-0
Multi CAS
No
Molecular Formula
C12H4N4S6
Molecular Weight
396.600000
Exact Mass
395.876023
SMILES
C1=CSC(=C2C3=NSN=C3C(=C4SC=CS4)C5=NSN=C25)S1
InChI
InChI=1S/C12H4N4S6/c1-2-18-11(17-1)5-7-9(15-21-13-7)6(12-19-3-4-20-12)10-8(5)14-22-16-10/h1-4H
InChIKey
ABMLGFPCLXTCEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
H-bond acceptors
10
Molar refractivity
103.1
TPSA
51.56
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
2.4
Consensus LogP
3.15
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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