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CAS 1384265-52-4 Methyl 1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylate molecular structure lightbox
CAS RN: 1384265-52-4

Methyl 1-(2-Fluorophenyl)-4-oxocyclohexanecarboxylate

  • Product code: SSC-048405
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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 1384265-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry

1384265-52-4 / methyl 1-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylate

Standard CAS: 1384265-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384265-52-4
Multi CAS
No
Molecular Formula
C14H15FO3
Molecular Weight
250.260000
Exact Mass
250.100523
SMILES
COC(=O)C1(CCC(=O)CC1)C2=CC=CC=C2F
InChI
InChI=1S/C14H15FO3/c1-18-13(17)14(8-6-10(16)7-9-14)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3
InChIKey
DDXBDXZHDOPOQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.57
TPSA
43.37

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
1.8
Consensus LogP
2.09
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.56

Drug-likeness / Medicinal Chemistry

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

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