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CAS 188527-56-2 PYRIDINE, 2-PHENYL-5-(TRIFLUOROMETHYL)- molecular structure lightbox
CAS RN: 188527-56-2

PYRIDINE, 2-PHENYL-5-(TRIFLUOROMETHYL)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-087748
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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 188527-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

188527-56-2 / 2-phenyl-5-(trifluoromethyl)pyridine

Standard CAS: 188527-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188527-56-2
Multi CAS
No
Molecular Formula
C12H8F3N
Molecular Weight
223.190000
Exact Mass
223.060884
SMILES
C1=CC=C(C=C1)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H8F3N/c13-12(14,15)10-6-7-11(16-8-10)9-4-2-1-3-5-9/h1-8H
InChIKey
FKACHUDGNZNGGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.68
TPSA
12.89

LogP / Solubility

WLOGP
3.77
MLOGP
3.32
XLogP3
3.4
Consensus LogP
3.5
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

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

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