CAS RN: 64-65-3
3-Ethyl-3-methylglutarimide
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTE0284
- Purity/Analytical Methods: >98.0%(GC)
64-65-3 / 4-ethyl-4-methylpiperidine-2,6-dione
Basic Information
CAS
64-65-3
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)
InChIKey
ORRZGUBHBVWWOP-UHFFFAOYSA-N
Physical Properties
Melting Point
259 to 261 °F (NTP, 1992)
Physical Description
Bemegride is a white crystalline solid. Sublimes at 212 °F and 200 mm pressure. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.78
TPSA
46.17
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
0.7
Consensus LogP
0.76
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.07
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
