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CAS 22581-33-5 2-(trifluoroMethyl)cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 22581-33-5

2-(trifluoroMethyl)cyclopropanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-110372
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 22581-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

22581-33-5 / 2-(trifluoromethyl)cyclopropane-1-carboxylic acid

Standard CAS: 22581-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22581-33-5
Multi CAS
No
Molecular Formula
C5H5F3O2
Molecular Weight
154.090000
Exact Mass
154.024164
SMILES
C1C(C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)
InChIKey
GSNLYQDUCHEFFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.29
TPSA
37.3

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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