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CAS 89851-99-0 N,N’-DIMETHYL-5-PYRROLIDINONE-3-CARBOXAMIDE molecular structure lightbox
CAS RN: 89851-99-0

N,N’-DIMETHYL-5-PYRROLIDINONE-3-CARBOXAMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS89851-99-0
  • Purity/Analytical Methods: >99.0%
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89851-99-0 / N,N-dimethyl-5-oxopyrrolidine-3-carboxamide

Standard CAS: 89851-99-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89851-99-0
Multi CAS
Yes
Molecular Formula
C7H12N2O2
Molecular Weight
156.180000
Exact Mass
156.089878
InChI
InChI=1S/C7H12N2O2/c1-9(2)7(11)5-3-6(10)8-4-5/h5H,3-4H2,1-2H3,(H,8,10)
InChIKey
GSQWLEXOXRWOGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.81
TPSA
49.41

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.7
XLogP3
-1.3
Consensus LogP
-0.93
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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