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CAS 26198-21-0 1-Hydroxy-6-(trifluoromethyl)benzotriazole molecular structure lightbox
CAS RN: 26198-21-0

1-Hydroxy-6-(trifluoromethyl)benzotriazole

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250404 100g In stock Inquiry
Batchno.20250622 1g In stock Inquiry
Batchno.20250620 25g In stock Inquiry
Batchno.20251222 5g In stock Inquiry
  • Product code: SSC-123358
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 26198-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

26198-21-0 / 1-hydroxy-6-(trifluoromethyl)benzotriazole

Standard CAS: 26198-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26198-21-0
Multi CAS
No
Molecular Formula
C7H4F3N3O
Molecular Weight
203.120000
Exact Mass
203.030646
SMILES
C1=CC2=C(C=C1C(F)(F)F)N(N=N2)O
InChI
InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-6(3-4)13(14)12-11-5/h1-3,14H
InChIKey
DGIBHCWBCOAPDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.71
TPSA
50.94

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
2.1
Consensus LogP
1.76
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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