CAS RN: 92075-16-6
1-TERT-BUTYL-2-IMIDAZOLIDINONE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS92075-16-6
- Purity/Analytical Methods: >99.0%
92075-16-6 / 1-tert-butylimidazolidin-2-one
Basic Information
CAS
92075-16-6
Multi CAS
No
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c1-7(2,3)9-5-4-8-6(9)10/h4-5H2,1-3H3,(H,8,10)
InChIKey
VNXBETOLLOJKCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.86
TPSA
32.34
LogP / Solubility
WLOGP
0.81
MLOGP
0.71
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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