CAS RN: 87253-83-6
3,4-thiadiazolo(3,2-a)pyrimidin-4-ium,2,3-dihydro-5,7-dimethyl-2-thioxo-hy
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.20250321 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS87253-83-6
- Purity/Analytical Methods: >99.0%
87253-83-6 / 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
Basic Information
CAS
87253-83-6
Multi CAS
Yes
Molecular Formula
C7H7N3S2
Molecular Weight
197.300000
Exact Mass
197.008140
InChI
InChI=1S/C7H7N3S2/c1-4-3-5(2)10-6(8-4)12-7(11)9-10/h3H,1-2H3
InChIKey
JQJIIAGVULRAON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
48.17
TPSA
29.88
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
2.5
Consensus LogP
1.33
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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