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CAS 887979-81-9 6-(2,4-DIFLUOROPHENYL)PYRIDINE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 887979-81-9

6-(2,4-DIFLUOROPHENYL)PYRIDINE-2-CARBALDEHYDE

  • Product code: SSC-200518
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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: 6
  • 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 887979-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

887979-81-9 / 6-(2,4-difluorophenyl)pyridine-2-carbaldehyde

Standard CAS: 887979-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887979-81-9
Multi CAS
No
Molecular Formula
C12F2H7NO
Molecular Weight
219.190000
Exact Mass
219.049570
InChI
InChI=1S/C12H7F2NO/c13-8-4-5-10(11(14)6-8)12-3-1-2-9(7-16)15-12/h1-7H
InChIKey
JHJHFOLZKPEAIE-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
2.5
Consensus LogP
2.61
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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