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CAS 74590-69-5 2-(4-Chlorophenyl)-2-fluoroacetic acid molecular structure lightbox
CAS RN: 74590-69-5

2-(4-Chlorophenyl)-2-fluoroacetic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250427 100mg In stock Shanghai Inquiry
Batchno.20260425 1g In stock Shanghai Inquiry
Batchno.20250712 250mg In stock Shanghai Inquiry
Batchno.20250715 5g In stock Shanghai Inquiry
  • Product code: SSC-184038
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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: 0.1g, 0.25g, 1g
  • 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 74590-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry

74590-69-5 / 2-(4-chlorophenyl)-2-fluoroacetic acid

Standard CAS: 74590-69-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74590-69-5
Multi CAS
No
Molecular Formula
C8H6CLFO2
Molecular Weight
188.580000
Exact Mass
188.004035
InChI
InChI=1S/C8H6ClFO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,(H,11,12)
InChIKey
RLCNEBPZNGMKMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.94
TPSA
37.3

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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