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CAS 887979-25-1 6-[4-(TrifluoroMethoxy)phenyl]-2-pyridinecarbaldehyde molecular structure lightbox
CAS RN: 887979-25-1

6-[4-(TrifluoroMethoxy)phenyl]-2-pyridinecarbaldehyde

  • Product code: SSC-200517
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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: 1g, 0.1g, 5g, 0.25g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 887979-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

887979-25-1 / 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde

Standard CAS: 887979-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887979-25-1
Multi CAS
No
Molecular Formula
C13F3H8NO2
Molecular Weight
267.200000
Exact Mass
267.050713
InChI
InChI=1S/C13H8F3NO2/c14-13(15,16)19-11-6-4-9(5-7-11)12-3-1-2-10(8-18)17-12/h1-8H
InChIKey
LSINARBOMHTZKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.74
TPSA
39.19

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.5
Consensus LogP
3.34
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly 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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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