Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
471-46-5 / oxamide
Basic Information
CAS
471-46-5
Multi CAS
No
Molecular Formula
C2H4N2O2
Molecular Weight
88.070000
Exact Mass
88.027277
InChI
InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
InChIKey
YIKSCQDJHCMVMK-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [Merck Index] Beige powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
18.39
TPSA
86.18
LogP / Solubility
WLOGP
-2.04
MLOGP
-1.81
XLogP3
-1.6
Consensus LogP
-1.82
Log S (ESOL)
0.9
Class (ESOL)
Highly soluble
Log S (Ali)
1.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.46
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.71
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
