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CAS 40503-87-5 4-(3′-fluorophenyl)-cyclohexanone molecular structure lightbox
CAS RN: 40503-87-5

4-(3′-fluorophenyl)-cyclohexanone

  • Product code: SSC-148706
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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: 1g, 25g, 5g, 100g, 10g
  • Available purity: ≥97%
  • 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 40503-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 3 In Stock Beijing Inquiry
100g ≥97% 3 In Stock Shenzhen Inquiry
10g ≥97% 2 In Stock Hong Kong Inquiry

40503-87-5 / 4-(3-fluorophenyl)cyclohexan-1-one

Standard CAS: 40503-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40503-87-5
Multi CAS
No
Molecular Formula
C12FH13O
Molecular Weight
192.230000
Exact Mass
192.095043
InChI
InChI=1S/C12H13FO/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9/h1-3,8-9H,4-7H2
InChIKey
LIAPPURFKRACQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.62
TPSA
17.07

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.2
Consensus LogP
2.65
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.73

Drug-likeness / Medicinal Chemistry

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

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