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CAS 1260674-33-6 2-Bromo-5-(trifluoromethyl)-1,3,4-oxadiazole molecular structure lightbox
CAS RN: 1260674-33-6

2-Bromo-5-(trifluoromethyl)-1,3,4-oxadiazole

  • Product code: SSC-031897
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260674-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

1260674-33-6 / 2-bromo-5-(trifluoromethyl)-1,3,4-oxadiazole

Standard CAS: 1260674-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260674-33-6
Multi CAS
No
Molecular Formula
C3BrF3N2O
Molecular Weight
216.940000
Exact Mass
215.914610
SMILES
C1(=NN=C(O1)Br)C(F)(F)F
InChI
InChI=1S/C3BrF3N2O/c4-2-9-8-1(10-2)3(5,6)7
InChIKey
RKLVCPKICSZBEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
27
TPSA
38.92

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.73
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.73

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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