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, 10g, 25g, 0.1g, 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 4 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
199274-87-8 / 1-(methoxymethyl)-4-nitropyrazole
Basic Information
CAS
199274-87-8
Multi CAS
No
Molecular Formula
C5H7N3O3
Molecular Weight
157.130000
Exact Mass
157.048741
SMILES
COCN1C=C(C=N1)[N+](=O)[O-]
InChI
InChI=1S/C5H7N3O3/c1-11-4-7-3-5(2-6-7)8(9)10/h2-3H,4H2,1H3
InChIKey
UURJXYFOASPHQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
35.89
TPSA
70.19
LogP / Solubility
WLOGP
0.4
MLOGP
0.34
XLogP3
-0.1
Consensus LogP
0.21
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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