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CAS 312312-75-7 Ethyl 2-oxo-3-phenylcyclopentanecarboxylate molecular structure lightbox
CAS RN: 312312-75-7

Ethyl 2-oxo-3-phenylcyclopentanecarboxylate

  • Product code: SSC-136505
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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 312312-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

312312-75-7 / ethyl 2-oxo-3-phenylcyclopentane-1-carboxylate

Standard CAS: 312312-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312312-75-7
Multi CAS
No
Molecular Formula
C14H16O3
Molecular Weight
232.270000
Exact Mass
232.109944
InChI
InChI=1S/C14H16O3/c1-2-17-14(16)12-9-8-11(13(12)15)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKey
LRSQKGAKYUHQNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
63.55
TPSA
43.37

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.5

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
2.5

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