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CAS 3796-24-5 4-(Trifluoromethyl)pyridine molecular structure lightbox
CAS RN: 3796-24-5

4-(Trifluoromethyl)pyridine

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8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260326 25g In stock Shanghai Inquiry
Batchno.20260506 50g Out of stock 8-10 business days Inquiry
Batchno.20260109 5g In stock Shanghai, Shandong Inquiry
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Batchno.20260410 1g In stock Inquiry
Batchno.20250220 250mg Out of stock Inquiry
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Batchno.20250831 50g In stock Inquiry
Batchno.20260325 5g In stock Inquiry
  • Product code: starshine_CAS3796-24-5
  • Purity/Analytical Methods: >99.0%
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3796-24-5 / 4-(trifluoromethyl)pyridine

Standard CAS: 3796-24-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3796-24-5
Multi CAS
No
Molecular Formula
C6F3H4N
Molecular Weight
147.100000
Exact Mass
147.029584
InChI
InChI=1S/C6H4F3N/c7-6(8,9)5-1-3-10-4-2-5/h1-4H
InChIKey
IIYVNMXPYWIJBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
29.24
TPSA
12.89

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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