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: 0.1g, 0.25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 84522-17-8
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.1g |
≥97% |
5
In Stock
|
Shanghai |
Inquiry |
| 0.25g |
≥97% |
5
In Stock
|
Shanghai |
Inquiry |
| 1g |
≥97% |
5
In Stock
|
Beijing |
Inquiry |
84522-17-8 / 2-(furan-2-yl)-2-oxoacetamide
Standard CAS: 84522-17-8
Multi CAS: Yes
Basic Information
CAS
84522-17-8
Multi CAS
Yes
Molecular Formula
C6H5NO3
Molecular Weight
139.110000
Exact Mass
139.026943
InChI
InChI=1S/C6H5NO3/c7-6(9)5(8)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKey
NXZIOYYELLCYTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.23
TPSA
73.3
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.4
Consensus LogP
-0.17
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.61
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