CAS RN: 418805-02-4
PYR 41
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250513 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250812 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260425 | 1g | Out of stock | Inquiry | ||
| Batchno.20250312 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250427 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250815 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250825 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS418805-02-4
- Purity/Analytical Methods: >99.0%
418805-02-4 / ethyl 4-[4-[(5-nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Basic Information
CAS
418805-02-4
Multi CAS
Yes
Molecular Formula
C17H13N3O7
Molecular Weight
371.300000
Exact Mass
371.075350
InChI
InChI=1S/C17H13N3O7/c1-2-26-17(23)10-3-5-11(6-4-10)19-16(22)13(15(21)18-19)9-12-7-8-14(27-12)20(24)25/h3-9H,2H2,1H3,(H,18,21)
InChIKey
ARGIPZKQJGFSGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
91.37
TPSA
131.99
LogP / Solubility
WLOGP
1.83
MLOGP
1.63
XLogP3
2.3
Consensus LogP
1.92
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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