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CAS 589-06-0 4-(4-Fluorophenyl)butanoic acid molecular structure lightbox
CAS RN: 589-06-0

4-(4-Fluorophenyl)butanoic acid

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 1g In stock Shanghai, Shandong Inquiry
Batchno.20250615 5g In stock Shanghai Inquiry
  • Product code: SSC-167248
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 589-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

589-06-0 / 4-(4-fluorophenyl)butanoic acid

Standard CAS: 589-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
589-06-0
Multi CAS
Yes
Molecular Formula
C10FH11O2
Molecular Weight
182.190000
Exact Mass
182.074308
InChI
InChI=1S/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChIKey
XVQYBBYOYJXQBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.97
TPSA
37.3

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.25

Drug-likeness / Medicinal Chemistry

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

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