CAS RN: 84210-26-4
NZ-419,5-HYDROXY-1-METHYLIMIDAZOLIDINE-2,4-DIONE
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS84210-26-4
- Purity/Analytical Methods: >99.0%
84210-26-4 / 5-hydroxy-1-methylimidazolidine-2,4-dione
Basic Information
CAS
84210-26-4
Multi CAS
No
Molecular Formula
C4H6N2O3
Molecular Weight
130.100000
Exact Mass
130.037842
InChI
InChI=1S/C4H6N2O3/c1-6-3(8)2(7)5-4(6)9/h3,8H,1H3,(H,5,7,9)
InChIKey
UPSFNXFLBMJUQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.31
TPSA
69.64
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.34
XLogP3
-1.4
Consensus LogP
-1.42
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
0.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.75
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)
-4.59
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
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