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CAS 174603-38-4 3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID molecular structure lightbox
CAS RN: 174603-38-4

3-(2-CHLORO-4-FLUORO-PHENYL)-PROPIONIC ACID

  • Product code: SSC-076589
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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: 5g, 1g, 0.25g, 10g
  • 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 174603-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

174603-38-4 / 3-(2-chloro-4-fluorophenyl)propanoic acid

Standard CAS: 174603-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174603-38-4
Multi CAS
No
Molecular Formula
C9H8ClFO2
Molecular Weight
202.610000
Exact Mass
202.019685
SMILES
C1=CC(=C(C=C1F)Cl)CCC(=O)O
InChI
InChI=1S/C9H8ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKey
CWLAMJYAQMNGPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.37
TPSA
37.3

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.4
Consensus LogP
2.37
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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