CAS RN: 85230-37-1
Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
- Product code: SSC-193501
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 10g, 5g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
85230-37-1 / ethyl 5-oxo-1,4-dihydropyrazole-3-carboxylate
Basic Information
CAS
85230-37-1
Multi CAS
Yes
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
InChI
InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)
InChIKey
FGCPAXRNQIOISG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.83
TPSA
67.76
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.51
XLogP3
-0.1
Consensus LogP
-0.39
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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