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CAS 455-00-5 2,6-Bis(trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 455-00-5

2,6-Bis(trifluoromethyl)pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-153222
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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: 5g
  • Available purity: ≥98%
  • 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 455-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

455-00-5 / 2,6-bis(trifluoromethyl)pyridine

Standard CAS: 455-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
455-00-5
Multi CAS
No
Molecular Formula
C7F6H3N
Molecular Weight
215.100000
Exact Mass
215.016968
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-2-1-3-5(14-4)7(11,12)13/h1-3H
InChIKey
YPDVFTXBESQIPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
1
Molar refractivity
34.24
TPSA
12.89

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.7
Consensus LogP
2.86
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

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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