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CAS 17794-48-8 2-(3-(Trifluoromethyl)benzamido)acetic acid molecular structure lightbox
CAS RN: 17794-48-8

2-(3-(Trifluoromethyl)benzamido)acetic acid

  • Product code: SSC-077806
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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, 5g, 0.1g, 0.25g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 17794-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 3 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

17794-48-8 / 2-[[3-(trifluoromethyl)benzoyl]amino]acetic acid

Standard CAS: 17794-48-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17794-48-8
Multi CAS
No
Molecular Formula
C10H8F3NO3
Molecular Weight
247.170000
Exact Mass
247.045628
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCC(=O)O
InChI
InChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-2-6(4-7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)
InChIKey
ZDGGJQMSELMHLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.41
TPSA
66.4

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
2.1
Consensus LogP
1.65
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-3.15

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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