CAS RN: 15362-52-4
2,5-di(3-pyridyl)-1,3,4-thiadiazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250807 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS15362-52-4
- Purity/Analytical Methods: >99.0%
15362-52-4 / 2,5-dipyridin-3-yl-1,3,4-thiadiazole
Basic Information
CAS
15362-52-4
Multi CAS
No
Molecular Formula
C12H8N4S
Molecular Weight
240.290000
Exact Mass
240.046967
SMILES
C1=CC(=CN=C1)C2=NN=C(S2)C3=CN=CC=C3
InChI
InChI=1S/C12H8N4S/c1-3-9(7-13-5-1)11-15-16-12(17-11)10-4-2-6-14-8-10/h1-8H
InChIKey
VEESCDPNZLKYDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.37
TPSA
51.56
LogP / Solubility
WLOGP
2.66
MLOGP
2.35
XLogP3
1.5
Consensus LogP
2.17
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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