CAS RN: 681159-27-3
CBR-5884
Product Availability
Choose a grade to view its available package options.
13 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250317 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251111 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250331 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250929 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250910 | 5mg / 10mg / 25mg / 50mg / 200mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-177828
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 |
681159-27-3 / ethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate
Basic Information
CAS
681159-27-3
Multi CAS
No
Molecular Formula
C14H12N2O4S2
Molecular Weight
336.400000
Exact Mass
336.023849
InChI
InChI=1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey
QBVIRPJBDIZKBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
83.14
TPSA
92.33
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
3.6
Consensus LogP
3.49
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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