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, 100g
- Available purity: ≥98%
- Inventory rows with stock: 5
- 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 | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 2 In Stock | Shanghai | Inquiry |
89282-12-2 / 4-hydroxy-3-nitro-1H-pyridin-2-one
Basic Information
CAS
89282-12-2
Multi CAS
Yes
Molecular Formula
C5H4N2O4
Molecular Weight
156.100000
Exact Mass
156.017107
InChI
InChI=1S/C5H4N2O4/c8-3-1-2-6-5(9)4(3)7(10)11/h1-2H,(H2,6,8,9)
InChIKey
BKYGVGWYPFVKTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.38
TPSA
96.23
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
0.2
Consensus LogP
0.06
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
Class (SILICOS-IT)
Very 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)
-3.68
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
