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CAS 381684-96-4 5-(4-FLUOROPHENYL)-PYRIDINE-3-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 381684-96-4

5-(4-FLUOROPHENYL)-PYRIDINE-3-CARBOXALDEHYDE

  • Product code: SSC-145677
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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: 2
  • 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 381684-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

381684-96-4 / 5-(4-fluorophenyl)pyridine-3-carbaldehyde

Standard CAS: 381684-96-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
381684-96-4
Multi CAS
Yes
Molecular Formula
C12FH8NO
Molecular Weight
201.200000
Exact Mass
201.058992
InChI
InChI=1S/C12H8FNO/c13-12-3-1-10(2-4-12)11-5-9(8-15)6-14-7-11/h1-8H
InChIKey
LGBCBWOHFSIXOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.02
TPSA
29.96

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2
Consensus LogP
2.36
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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