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CAS 654-70-6 5-Amino-2-cyanobenzotrifluoride molecular structure lightbox
CAS RN: 654-70-6

5-Amino-2-cyanobenzotrifluoride

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 100g In stock Inquiry
Batchno.20260209 10g In stock Inquiry
Batchno.20250215 1g In stock Inquiry
Batchno.20250826 250mg In stock Inquiry
Batchno.20250121 25g In stock Inquiry
Batchno.20260503 500g In stock Inquiry
Batchno.20260330 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-175056
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 654-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 1 In Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

654-70-6 / 4-amino-2-(trifluoromethyl)benzonitrile

Standard CAS: 654-70-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
654-70-6
Multi CAS
Yes
Molecular Formula
C8F3H5N2
Molecular Weight
186.130000
Exact Mass
186.040483
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChIKey
PMDYLCUKSLBUHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.57
TPSA
49.81

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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