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: 25g, 100g, 500g, 1000g
- Available purity: ≥97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 4 In Stock | Shanghai | Inquiry |
| 25g | -- | 3 In Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | -- | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
598-50-5 / methylurea
Basic Information
CAS
598-50-5
Multi CAS
No
Molecular Formula
C2H6N2O
Molecular Weight
74.080000
Exact Mass
74.048013
InChI
InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey
XGEGHDBEHXKFPX-UHFFFAOYSA-N
Physical Properties
Physical Description
Crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
18.64
TPSA
55.12
LogP / Solubility
WLOGP
-0.72
MLOGP
-0.64
XLogP3
-1.4
Consensus LogP
-0.92
Log S (ESOL)
0.15
Class (ESOL)
Highly soluble
Log S (Ali)
0.35
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.45
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
