CAS RN: 5428-50-2
1-(2,4-DICHLOROPHENYL)UREA
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260404 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5428-50-2
- Purity/Analytical Methods: >99.0%
5428-50-2 / (2,4-dichlorophenyl)urea
Basic Information
CAS
5428-50-2
Multi CAS
Yes
Molecular Formula
C7H6CL2N2O
Molecular Weight
205.040000
Exact Mass
203.985718
InChI
InChI=1S/C7H6Cl2N2O/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
YEEUHNXDHIYZOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.67
TPSA
55.12
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
1.6
Consensus LogP
2.09
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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