CAS RN: 913558-33-5
ethyl 5-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-204326
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 | Hong Kong | Inquiry |
913558-33-5 / ethyl 5-oxo-1,4,6,7-tetrahydroindazole-3-carboxylate
Basic Information
CAS
913558-33-5
Multi CAS
No
Molecular Formula
C10H12N2O3
Molecular Weight
208.210000
Exact Mass
208.084792
InChI
InChI=1S/C10H12N2O3/c1-2-15-10(14)9-7-5-6(13)3-4-8(7)11-12-9/h2-5H2,1H3,(H,11,12)
InChIKey
VOYAVWLOXMUJJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.58
TPSA
72.05
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
0.5
Consensus LogP
0.57
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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