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CAS 84109-76-2 tert-Butyl 2-Oxocyclopentanecarboxylate molecular structure lightbox
CAS RN: 84109-76-2

tert-Butyl 2-Oxocyclopentanecarboxylate

  • Product code: SSC-191699
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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: 0.1g, 0.25g, 1g, 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 84109-76-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

84109-76-2 / tert-butyl 2-oxocyclopentane-1-carboxylate

Standard CAS: 84109-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84109-76-2
Multi CAS
No
Molecular Formula
C10H16O3
Molecular Weight
184.230000
Exact Mass
184.109944
InChI
InChI=1S/C10H16O3/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7H,4-6H2,1-3H3
InChIKey
OGIKPUCMXHEUMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
48.19
TPSA
43.37

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.5
Consensus LogP
1.56
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-2.64

Drug-likeness / Medicinal Chemistry

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

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