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CAS 3751-82-4 4-OXO-PYRROLIDINE-1,3-DICARBOXYLIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 3751-82-4

4-OXO-PYRROLIDINE-1,3-DICARBOXYLIC ACID DIETHYL ESTER

  • Product code: SSC-144906
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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 3751-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3751-82-4 / diethyl 4-oxopyrrolidine-1,3-dicarboxylate

Standard CAS: 3751-82-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3751-82-4
Multi CAS
Yes
Molecular Formula
C10H15NO5
Molecular Weight
229.230000
Exact Mass
229.095023
InChI
InChI=1S/C10H15NO5/c1-3-15-9(13)7-5-11(6-8(7)12)10(14)16-4-2/h7H,3-6H2,1-2H3
InChIKey
HJSVNVFKQKIQFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
53.73
TPSA
72.91

LogP / Solubility

WLOGP
0.21
MLOGP
0.19
XLogP3
0.5
Consensus LogP
0.3
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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