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CAS 887973-75-3 5-[3,5-Bis(trifluoroMethyl)phenyl]-3-pyridinecarbaldehyde molecular structure lightbox
CAS RN: 887973-75-3

5-[3,5-Bis(trifluoroMethyl)phenyl]-3-pyridinecarbaldehyde

  • Product code: SSC-200484
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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, 5g, 1g, 0.25g
  • 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 887973-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry

887973-75-3 / 5-[3,5-bis(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

Standard CAS: 887973-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887973-75-3
Multi CAS
No
Molecular Formula
C14F6H7NO
Molecular Weight
319.200000
Exact Mass
319.043183
InChI
InChI=1S/C14H7F6NO/c15-13(16,17)11-2-9(3-12(4-11)14(18,19)20)10-1-8(7-22)5-21-6-10/h1-7H
InChIKey
HBWFTFSZMSBSGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.06
TPSA
29.96

LogP / Solubility

WLOGP
4.6
MLOGP
4.06
XLogP3
3.7
Consensus LogP
4.12
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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