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CAS 266692-21-1 5-(2-chloropyridin-4-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole molecular structure lightbox
CAS RN: 266692-21-1

5-(2-chloropyridin-4-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 100mg Out of stock Inquiry
Batchno.20250212 1g In stock Tianjin Inquiry
Batchno.20260123 250mg Out of stock Inquiry
  • Product code: starshine_CAS266692-21-1
  • Purity/Analytical Methods: >99.0%
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266692-21-1 / 5-(2-chloro-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Standard CAS: 266692-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
266692-21-1
Multi CAS
No
Molecular Formula
C14H7ClF3N3O
Molecular Weight
325.670000
Exact Mass
325.022974
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=N2)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C14H7ClF3N3O/c15-11-7-9(4-5-19-11)13-20-12(21-22-13)8-2-1-3-10(6-8)14(16,17)18/h1-7H
InChIKey
FAVREIOKTQODAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.98
TPSA
51.81

LogP / Solubility

WLOGP
4.47
MLOGP
3.95
XLogP3
4.2
Consensus LogP
4.21
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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)
-1.53

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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