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CAS 55709-17-6 (3S)-3-Methyl-2-Pyrrolidinone molecular structure lightbox
CAS RN: 55709-17-6

(3S)-3-Methyl-2-Pyrrolidinone

  • Product code: SSC-163654
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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 55709-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

55709-17-6 / 3-methylpyrrolidin-2-one

Standard CAS: 55709-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55709-17-6
Multi CAS
Yes
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
InChI
InChI=1S/C5H9NO/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey
AOCWQPKHSMJWPL-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
26.79
TPSA
29.1

LogP / Solubility

WLOGP
0.14
MLOGP
0.11
XLogP3
0.2
Consensus LogP
0.15
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.22

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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