CAS RN: 18227-41-3
5-Propylhydantoin
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTP0323
- Purity/Analytical Methods: >98.0%(GC)(T)
18227-41-3 / 5-propylimidazolidine-2,4-dione
Basic Information
CAS
18227-41-3
Multi CAS
No
Molecular Formula
C6H10N2O2
Molecular Weight
142.160000
Exact Mass
142.074228
SMILES
CCCC1C(=O)NC(=O)N1
InChI
InChI=1S/C6H10N2O2/c1-2-3-4-5(9)8-6(10)7-4/h4H,2-3H2,1H3,(H2,7,8,9,10)
InChIKey
BIFASJFFCIDWDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.37
TPSA
58.2
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.01
XLogP3
0.2
Consensus LogP
0.06
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.59
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
2
