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CAS 183266-61-7 (Trifluoroacetyl)benzotriazole (mixture of 1H- and 2H- isomers) molecular structure lightbox
CAS RN: 183266-61-7

(Trifluoroacetyl)benzotriazole (mixture of 1H- and 2H- isomers)

Product Availability

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8 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250915 1g In stock Inquiry
Batchno.20260624 250mg In stock Inquiry
Batchno.20250609 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250113 100mg Out of stock Inquiry
Batchno.20260225 1g Out of stock Inquiry
Batchno.20250117 250mg Out of stock Inquiry
Batchno.20260311 25g Out of stock Inquiry
Batchno.20260401 5g Out of stock Inquiry
  • Product code: SSC-084794
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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: ≥98%
  • 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 183266-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

183266-61-7 / 1-(benzotriazol-1-yl)-2,2,2-trifluoroethanone

Standard CAS: 183266-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183266-61-7
Multi CAS
No
Molecular Formula
C8H4F3N3O
Molecular Weight
215.130000
Exact Mass
215.030646
SMILES
C1=CC=C2C(=C1)N=NN2C(=O)C(F)(F)F
InChI
InChI=1S/C8H4F3N3O/c9-8(10,11)7(15)14-6-4-2-1-3-5(6)12-13-14/h1-4H
InChIKey
GVQIQOIKWUOEJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
Molar refractivity
44.21
TPSA
47.78

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
2.1
Consensus LogP
1.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.87

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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