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CAS 2097800-24-1 1-[4-Fluoro-2-(1-piperidyl)phenyl]ethanol molecular structure lightbox
CAS RN: 2097800-24-1

1-[4-Fluoro-2-(1-piperidyl)phenyl]ethanol

  • Product code: SSC-099575
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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 2097800-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

2097800-24-1 / 1-(4-fluoro-2-piperidin-1-ylphenyl)ethanol

Standard CAS: 2097800-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097800-24-1
Multi CAS
No
Molecular Formula
C13H18FNO
Molecular Weight
223.290000
Exact Mass
223.137242
SMILES
CC(C1=C(C=C(C=C1)F)N2CCCCC2)O
InChI
InChI=1S/C13H18FNO/c1-10(16)12-6-5-11(14)9-13(12)15-7-3-2-4-8-15/h5-6,9-10,16H,2-4,7-8H2,1H3
InChIKey
BSPDWGQBTZBROG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.1
TPSA
23.47

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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