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CAS 164164-26-5 5-(4-Fluorophenyl)-2-fluorobenzoic acid molecular structure lightbox
CAS RN: 164164-26-5

5-(4-Fluorophenyl)-2-fluorobenzoic acid

  • Product code: SSC-071652
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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
  • Available purity: ≥95%
  • 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 164164-26-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

164164-26-5 / 2-fluoro-5-(4-fluorophenyl)benzoic acid

Standard CAS: 164164-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
164164-26-5
Multi CAS
No
Molecular Formula
C13H8F2O2
Molecular Weight
234.200000
Exact Mass
234.049236
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)F)C(=O)O)F
InChI
InChI=1S/C13H8F2O2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,(H,16,17)
InChIKey
QFOLNTPEYOGOJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.75
TPSA
37.3

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.19
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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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