CAS RN: 71555-25-4
NSC319726
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260313 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250909 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250603 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250213 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250724 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251028 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250605 | 5mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-181137
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 | Beijing | Inquiry |
71555-25-4 / N-(1-pyridin-2-ylethylideneamino)azetidine-1-carbothioamide
Basic Information
CAS
71555-25-4
Multi CAS
Yes
Molecular Formula
C11H14N4S
Molecular Weight
234.320000
Exact Mass
234.093918
InChI
InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)
InChIKey
XDHBUMNIQRLHGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.37
TPSA
40.52
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
