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CAS 86364-65-0 ETHYL 4-(2-OXO-1-PYRROLIDINYL)BENZENECARBOXYLATE molecular structure lightbox
CAS RN: 86364-65-0

ETHYL 4-(2-OXO-1-PYRROLIDINYL)BENZENECARBOXYLATE

  • Product code: SSC-195326
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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 86364-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

86364-65-0 / ethyl 4-(2-oxopyrrolidin-1-yl)benzoate

Standard CAS: 86364-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86364-65-0
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-2-17-13(16)10-5-7-11(8-6-10)14-9-3-4-12(14)15/h5-8H,2-4,9H2,1H3
InChIKey
ZXNIZQXQPLRWCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
63.99
TPSA
46.61

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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