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CAS 1187933-13-6 2-(2-Trifluoromethyl-phenyl)-cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 1187933-13-6

2-(2-Trifluoromethyl-phenyl)-cyclopropanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-018875
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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, 0.1g, 0.25g
  • Available purity: ≥95%
  • 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 1187933-13-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1187933-13-6 / 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

2-[2-(trifluoromethyl)phenyl]cyclopropanecarboxylic acid | 2-(2-(Trifluoromethyl)phenyl)cyclopropanecarboxylic acid | 2-(2-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPANECARBOXYLIC ACID

Standard CAS: 1187933-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187933-13-6
Multi CAS
No
Molecular Formula
C11H9F3O2
Molecular Weight
230.180000
Exact Mass
230.055464
SMILES
C1C(C1C(=O)O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)
InChIKey
SHCKKENSUDTLMS-UHFFFAOYSA-N
Synonyms
2-[2-(trifluoromethyl)phenyl]cyclopropanecarboxylic acid 2-(2-(Trifluoromethyl)phenyl)cyclopropanecarboxylic acid 2-(2-TRIFLUOROMETHYL-PHENYL)-CYCLOPROPANECARBOXYLIC ACID 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic Acid MFCD12913655

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.93
TPSA
37.3

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.07

Drug-likeness / Medicinal Chemistry

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

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