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CAS 31180-85-5 Ethyl 2-(4-Oxocyclohexyl)propanoate molecular structure lightbox
CAS RN: 31180-85-5

Ethyl 2-(4-Oxocyclohexyl)propanoate

  • Product code: SSC-136441
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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, 10g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 31180-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
10g >95% 4 In Stock Beijing Inquiry
5g >95% 3 In Stock Shanghai Inquiry

31180-85-5 / ethyl 2-(4-oxocyclohexyl)propanoate

Standard CAS: 31180-85-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31180-85-5
Multi CAS
No
Molecular Formula
C11H18O3
Molecular Weight
198.260000
Exact Mass
198.125594
InChI
InChI=1S/C11H18O3/c1-3-14-11(13)8(2)9-4-6-10(12)7-5-9/h8-9H,3-7H2,1-2H3
InChIKey
RRUJMJLHOSVNCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.76
TPSA
43.37

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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