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CAS 356058-14-5 6-(4-TRIFLUOROMETHYL-PHENYL)-PYRIDINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 356058-14-5

6-(4-TRIFLUOROMETHYL-PHENYL)-PYRIDINE-3-CARBALDEHYDE

  • Product code: SSC-142629
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 356058-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

356058-14-5 / 6-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

Standard CAS: 356058-14-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356058-14-5
Multi CAS
Yes
Molecular Formula
C13F3H8NO
Molecular Weight
251.200000
Exact Mass
251.055798
InChI
InChI=1S/C13H8F3NO/c14-13(15,16)11-4-2-10(3-5-11)12-6-1-9(8-18)7-17-12/h1-8H
InChIKey
ORGBUOFMDHPPIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.06
TPSA
29.96

LogP / Solubility

WLOGP
3.58
MLOGP
3.16
XLogP3
2.9
Consensus LogP
3.21
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.71

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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