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CAS 96567-95-2 N-(3-METHYLPYRROLIDIN-3-YL)ACETAMIDE molecular structure lightbox
CAS RN: 96567-95-2

N-(3-METHYLPYRROLIDIN-3-YL)ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS96567-95-2
  • Purity/Analytical Methods: >99.0%
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96567-95-2 / N-(3-methylpyrrolidin-3-yl)acetamide

Standard CAS: 96567-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96567-95-2
Multi CAS
No
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
InChI
InChI=1S/C7H14N2O/c1-6(10)9-7(2)3-4-8-5-7/h8H,3-5H2,1-2H3,(H,9,10)
InChIKey
FHUVQAZMVCLIIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.71
TPSA
41.13

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.5
Consensus LogP
-0.25
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very 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)
-3.68

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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