CAS RN: 882257-11-6
P-5091
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260531 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251024 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250721 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250808 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250101 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250108 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260227 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250715 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-198756
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Beijing | Inquiry |
882257-11-6 / 1-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
Basic Information
CAS
882257-11-6
Multi CAS
No
Molecular Formula
C12H7CL2NO3S2
Molecular Weight
348.200000
Exact Mass
346.924441
InChI
InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
InChIKey
LKZLGMAAKNEGCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
81.56
TPSA
60.21
LogP / Solubility
WLOGP
5.32
MLOGP
4.7
XLogP3
5.1
Consensus LogP
5.04
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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