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CAS 22227-26-5 3,5-Bis(trifluoromethyl)benzamide molecular structure lightbox
CAS RN: 22227-26-5

3,5-Bis(trifluoromethyl)benzamide

  • Product code: SSC-106895
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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, 10g, 25g, 5g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 22227-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
25g ≥97% 4 In Stock Beijing Inquiry
5g ≥97% 3 In Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

22227-26-5 / 3,5-bis(trifluoromethyl)benzamide

Standard CAS: 22227-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22227-26-5
Multi CAS
No
Molecular Formula
C9H5F6NO
Molecular Weight
257.130000
Exact Mass
257.027533
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)
InChIKey
YNOPIKHMZIOWHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.96
TPSA
43.09

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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