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CAS 1157561-41-5 2-(3-Fluoro-phenyl)-cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 1157561-41-5

2-(3-Fluoro-phenyl)-cyclopropanecarboxylic acid

  • Product code: SSC-015506
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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: 3
  • 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 1157561-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

1157561-41-5 / 2-(3-fluorophenyl)cyclopropane-1-carboxylic acid

2-(3-fluorophenyl)cyclopropanecarboxylic acid | RefChem:455571 | 886-529-5

Standard CAS: 1157561-41-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1157561-41-5
Multi CAS
Yes
Molecular Formula
C10H9FO2
Molecular Weight
180.170000
Exact Mass
180.058658
SMILES
C1C(C1C(=O)O)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H9FO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)
InChIKey
WRSJNCVKPWFCPM-UHFFFAOYSA-N
Synonyms
2-(3-fluorophenyl)cyclopropanecarboxylic acid RefChem:455571 886-529-5 2-(3-fluorophenyl)cyclopropane-1-carboxylic acid 2-(3-FLUORO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.88
TPSA
37.3

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.39

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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