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CAS 24935-08-8 1-(2-aminoethyl)pyrrolidin-2-one molecular structure lightbox
CAS RN: 24935-08-8

1-(2-aminoethyl)pyrrolidin-2-one

  • Product code: SSC-120246
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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: 1g, 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 24935-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

24935-08-8 / 1-(2-aminoethyl)pyrrolidin-2-one

Standard CAS: 24935-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24935-08-8
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
C1CC(=O)N(C1)CCN
InChI
InChI=1S/C6H12N2O/c7-3-5-8-4-1-2-6(8)9/h1-5,7H2
InChIKey
HHEKNWQXFVOUNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.87
TPSA
46.33

LogP / Solubility

WLOGP
-0.43
MLOGP
-0.39
XLogP3
-1.1
Consensus LogP
-0.64
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
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)
-3.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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