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CAS 22041-18-5 METHYL1-PYRROLIDINEACETATE molecular structure lightbox
CAS RN: 22041-18-5

METHYL1-PYRROLIDINEACETATE

  • Product code: SSC-106024
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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: 0.25g
  • 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 22041-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

22041-18-5 / methyl 2-pyrrolidin-1-ylacetate

Standard CAS: 22041-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22041-18-5
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
COC(=O)CN1CCCC1
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-6H2,1H3
InChIKey
BMWOSLXYXGTLAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.69
TPSA
29.54

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
0.7
Consensus LogP
0.39
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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