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CAS 42491-95-2 3-(acetyloxy)-2-Pyrrolidinone molecular structure lightbox
CAS RN: 42491-95-2

3-(acetyloxy)-2-Pyrrolidinone

  • Product code: SSC-150788
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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 42491-95-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

42491-95-2 / (2-oxopyrrolidin-3-yl) acetate

Standard CAS: 42491-95-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42491-95-2
Multi CAS
No
Molecular Formula
C6H9NO3
Molecular Weight
143.140000
Exact Mass
143.058243
InChI
InChI=1S/C6H9NO3/c1-4(8)10-5-2-3-7-6(5)9/h5H,2-3H2,1H3,(H,7,9)
InChIKey
KBIUKOHCESPDKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.18
TPSA
55.4

LogP / Solubility

WLOGP
-0.56
MLOGP
-0.5
XLogP3
-0.4
Consensus LogP
-0.49
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
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)
-3.99

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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