CAS RN: 557-11-9
Allylurea
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock3 grade groups
- Product code: SSC-163634
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
557-11-9 / prop-2-enylurea
Basic Information
CAS
557-11-9
Multi CAS
No
Molecular Formula
C4H8N2O
Molecular Weight
100.120000
Exact Mass
100.063663
InChI
InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKey
VPJDULFXCAQHRC-UHFFFAOYSA-N
Physical Properties
Melting Point
162 to 165 °F (NTP, 1992)
Physical Description
Allyl urea is a cream colored powder. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
27.78
TPSA
55.12
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.15
XLogP3
-0.4
Consensus LogP
-0.24
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.44
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
