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CAS 5396-14-5 2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 5396-14-5

2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER

  • Product code: SSC-161388
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5396-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

5396-14-5 / ethyl 2-oxo-2-(2-oxocyclohexyl)acetate

Standard CAS: 5396-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5396-14-5
Multi CAS
Yes
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
InChI
InChI=1S/C10H14O4/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h7H,2-6H2,1H3
InChIKey
SIQOFNOENHOIFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
48.61
TPSA
60.44

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
1.3
Consensus LogP
0.98
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-3.31

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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