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CAS 16642-92-5 4-(Trifluoromethyl)cinnamic Acid molecular structure lightbox
CAS RN: 16642-92-5

4-(Trifluoromethyl)cinnamic Acid

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260501 100g In stock Inquiry
Batchno.20260306 10g Out of stock Inquiry
Batchno.20260122 1g In stock Inquiry
Batchno.20250208 25g In stock Inquiry
Batchno.20250820 500g In stock Inquiry
Batchno.20251014 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250827 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong 8-10 business days Inquiry
  • Product code: SSC-072654
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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: 25g, 5g, 10g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 16642-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 2 In Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

16642-92-5 / (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

Standard CAS: 16642-92-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16642-92-5
Multi CAS
No
Molecular Formula
C10H7F3O2
Molecular Weight
216.160000
Exact Mass
216.039814
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)C(F)(F)F
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChIKey
ANRMAUMHJREENI-ZZXKWVIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.11
TPSA
37.3

LogP / Solubility

WLOGP
2.8
MLOGP
2.47
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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