![CAS 1313520-83-0 3-nitro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-Pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1313520-83-0.gif)
CAS RN: 1313520-83-0
3-nitro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-Pyrazole
- Product code: SSC-038160
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: 1g, 5g, 0.25g, 10g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1313520-83-0 / trimethyl-[2-[(3-nitropyrazol-1-yl)methoxy]ethyl]silane
Basic Information
CAS
1313520-83-0
Multi CAS
No
Molecular Formula
C9H17N3O3Si
Molecular Weight
243.330000
Exact Mass
243.103918
SMILES
C[Si](C)(C)CCOCN1C=CC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C9H17N3O3Si/c1-16(2,3)7-6-15-8-11-5-4-9(10-11)12(13)14/h4-5H,6-8H2,1-3H3
InChIKey
WTWKGNPLTIGCIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
62.99
TPSA
70.19
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly 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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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