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CAS 160806-40-6 2-Pyrrolidinone,4-amino-,(4S)-(9CI) molecular structure lightbox
CAS RN: 160806-40-6

2-Pyrrolidinone,4-amino-,(4S)-(9CI)

  • Product code: SSC-068570
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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: 0.1g
  • 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 160806-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

160806-40-6 / (4S)-4-aminopyrrolidin-2-one

Standard CAS: 160806-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160806-40-6
Multi CAS
No
Molecular Formula
C4H8N2O
Molecular Weight
100.120000
Exact Mass
100.063663
SMILES
C1[C@@H](CNC1=O)N
InChI
InChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKey
JIMSBKAHGYGPLD-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
2
Molar refractivity
25.6
TPSA
55.12

LogP / Solubility

WLOGP
-1.17
MLOGP
-1.04
XLogP3
-1.6
Consensus LogP
-1.27
Log S (ESOL)
0.27
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.66
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

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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