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CAS 55656-99-0 4-(3-Pyridinyl)-2-pyrrolidinone molecular structure lightbox
CAS RN: 55656-99-0

4-(3-Pyridinyl)-2-pyrrolidinone

  • Product code: SSC-163576
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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
  • 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 55656-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

55656-99-0 / 4-pyridin-3-ylpyrrolidin-2-one

Standard CAS: 55656-99-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55656-99-0
Multi CAS
Yes
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c12-9-4-8(6-11-9)7-2-1-3-10-5-7/h1-3,5,8H,4,6H2,(H,11,12)
InChIKey
MZFLMYXJIGUFBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.6
TPSA
41.99

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
-0.1
Consensus LogP
0.4
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.22

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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