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CAS 898796-15-1 6-(2,4-Difluorophenyl)-3-pyridinecarbaldehyde molecular structure lightbox
CAS RN: 898796-15-1

6-(2,4-Difluorophenyl)-3-pyridinecarbaldehyde

  • Product code: SSC-202055
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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, 1g, 0.25g, 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 898796-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

898796-15-1 / 6-(2,4-difluorophenyl)pyridine-3-carbaldehyde

Standard CAS: 898796-15-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
898796-15-1
Multi CAS
Yes
Molecular Formula
C12F2H7NO
Molecular Weight
219.190000
Exact Mass
219.049570
InChI
InChI=1S/C12H7F2NO/c13-9-2-3-10(11(14)5-9)12-4-1-8(7-16)6-15-12/h1-7H
InChIKey
HYHVHRUOLIQTPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.98
TPSA
29.96

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
2.2
Consensus LogP
2.51
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.04

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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