CAS RN: 1281681-33-1
VP3.15 Dihydrobromide
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250418 | 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260519 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260117 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251013 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250629 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260112 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260309 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-035497
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1281681-33-1 / N-(2-morpholin-4-ylethyl)-2,3-diphenyl-1,2,4-thiadiazol-5-imine;dihydrobromide
Basic Information
CAS
1281681-33-1
Multi CAS
No
Molecular Formula
C20H24Br2N4OS
Molecular Weight
528.300000
Exact Mass
528.001710
SMILES
C1COCCN1CCN=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4.Br.Br
InChI
InChI=1S/C20H22N4OS.2BrH/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18;;/h1-10H,11-16H2;2*1H
InChIKey
CAJZOXQDSKOPBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
125.21
TPSA
42.65
LogP / Solubility
WLOGP
3.99
MLOGP
3.55
XLogP3
3.99
Consensus LogP
3.84
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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