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CAS 92712-48-6 5-[3-(TRIFLUOROMETHYL)PHENYL]-1H-TETRAZOLE molecular structure lightbox
CAS RN: 92712-48-6

5-[3-(TRIFLUOROMETHYL)PHENYL]-1H-TETRAZOLE

  • Product code: SSC-206522
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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: ≥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 92712-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

92712-48-6 / 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole

Standard CAS: 92712-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92712-48-6
Multi CAS
No
Molecular Formula
C8F3H5N4
Molecular Weight
214.150000
Exact Mass
214.046631
InChI
InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChIKey
KWSLGOVYXMQPPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.62
TPSA
54.46

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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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