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CAS 89322-69-0 3-Pyrrolidinecarbonitrile, 2-Oxo molecular structure lightbox
CAS RN: 89322-69-0

3-Pyrrolidinecarbonitrile, 2-Oxo

  • Product code: SSC-201221
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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 89322-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

89322-69-0 / 2-oxopyrrolidine-3-carbonitrile

Standard CAS: 89322-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89322-69-0
Multi CAS
No
Molecular Formula
C5H6N2O
Molecular Weight
110.110000
Exact Mass
110.048013
InChI
InChI=1S/C5H6N2O/c6-3-4-1-2-7-5(4)8/h4H,1-2H2,(H,7,8)
InChIKey
CCWGQTWRNZHJPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.73
TPSA
52.89

LogP / Solubility

WLOGP
-0.35
MLOGP
-0.32
XLogP3
-0.4
Consensus LogP
-0.36
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.08
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)
-3.64

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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