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CAS 1260674-38-1 [5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol molecular structure lightbox
CAS RN: 1260674-38-1

[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol

  • Product code: SSC-031898
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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 1260674-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1260674-38-1 / [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanol

Standard CAS: 1260674-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260674-38-1
Multi CAS
No
Molecular Formula
C4H3F3N2O2
Molecular Weight
168.070000
Exact Mass
168.014662
SMILES
C(C1=NOC(=N1)C(F)(F)F)O
InChI
InChI=1S/C4H3F3N2O2/c5-4(6,7)3-8-2(1-10)9-11-3/h10H,1H2
InChIKey
WFPHXHFHXMQXDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
25.22
TPSA
59.15

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
XLogP3
0.2
Consensus LogP
0.43
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.33

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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