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: 5g, 1g, 25g, 0.25g, 10g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
55864-87-4 / ethyl 4-nitro-1H-pyrazole-5-carboxylate
Basic Information
CAS
55864-87-4
Multi CAS
No
Molecular Formula
C6H7N3O4
Molecular Weight
185.140000
Exact Mass
185.043656
InChI
InChI=1S/C6H7N3O4/c1-2-13-6(10)5-4(9(11)12)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChIKey
GNGKEGKMDXAMKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
41.2
TPSA
98.12
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.6
Consensus LogP
0.51
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
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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ANISODAMINE
- CAS RN: 55869-99-3
- Product Code: starshine_CAS55869-99-3
- Purity/Analytical method: >99.0%
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