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CAS 1333154-10-1 3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazole molecular structure lightbox
CAS RN: 1333154-10-1

3-(3,5-bis(trifluoroMethyl)phenyl)-1H-1,2,4-triazole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250105 1g In stock Inquiry
Batchno.20250908 250mg In stock Inquiry
Batchno.20260110 5g In stock Inquiry
  • Product code: SSC-040000
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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: ＞97%
  • 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 1333154-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1333154-10-1 / 5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole

Standard CAS: 1333154-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1333154-10-1
Multi CAS
No
Molecular Formula
C10H5F6N3
Molecular Weight
281.160000
Exact Mass
281.038766
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NC=NN2
InChI
InChI=1S/C10H5F6N3/c11-9(12,13)6-1-5(8-17-4-18-19-8)2-7(3-6)10(14,15)16/h1-4H,(H,17,18,19)
InChIKey
VREVSIZDNGOZRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.82
TPSA
41.57

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

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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