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CAS 936940-46-4 4-(AMINOMETHYL)-1-CYCLOPROPYLPYRROLIDIN-2-ONE molecular structure lightbox
CAS RN: 936940-46-4

4-(AMINOMETHYL)-1-CYCLOPROPYLPYRROLIDIN-2-ONE

  • Product code: SSC-208091
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 936940-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

936940-46-4 / 4-(aminomethyl)-1-cyclopropylpyrrolidin-2-one

Standard CAS: 936940-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936940-46-4
Multi CAS
No
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
InChI
InChI=1S/C8H14N2O/c9-4-6-3-8(11)10(5-6)7-1-2-7/h6-7H,1-5,9H2
InChIKey
MSTPQGZGGMDGMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.9
TPSA
46.33

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.04
XLogP3
-0.7
Consensus LogP
-0.26
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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)
-3.69

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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