CAS RN: 72396-58-8
Piperazine, 1-(1,3,4-thiadiazol-2-yl)- (6CI,9CI)
- Product code: SSC-181912
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
72396-58-8 / 2-piperazin-1-yl-1,3,4-thiadiazole
Basic Information
CAS
72396-58-8
Multi CAS
No
Molecular Formula
C6H10N4S
Molecular Weight
170.240000
Exact Mass
170.062618
InChI
InChI=1S/C6H10N4S/c1-3-10(4-2-7-1)6-9-8-5-11-6/h5,7H,1-4H2
InChIKey
VGAQTZHPPPUQOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.99
TPSA
41.05
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
0.2
Consensus LogP
0.03
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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