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CAS 3880-20-4 N-allylglutarimide molecular structure lightbox
CAS RN: 3880-20-4

N-allylglutarimide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 500mg Out of stock 30 business days Inquiry
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3880-20-4 / 1-prop-2-enylpiperidine-2,6-dione

SCHEMBL723082

Standard CAS: 3880-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3880-20-4
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
C=CCN1C(=O)CCCC1=O
InChI
InChI=1S/C8H11NO2/c1-2-6-9-7(10)4-3-5-8(9)11/h2H,1,3-6H2
InChIKey
PVLQTYFKRFUPNS-UHFFFAOYSA-N
Synonyms
SCHEMBL723082

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.77
TPSA
37.38

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.1
Consensus LogP
0.48
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.33
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)
-3.15

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

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