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CAS 748183-47-3 4-(2,4-difluorophenoxy)benzoic acid molecular structure lightbox
CAS RN: 748183-47-3

4-(2,4-difluorophenoxy)benzoic acid

  • Product code: SSC-184285
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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: 0.1g
  • 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 748183-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

748183-47-3 / 4-(2,4-difluorophenoxy)benzoic acid

Standard CAS: 748183-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
748183-47-3
Multi CAS
No
Molecular Formula
C13F2H8O3
Molecular Weight
250.200000
Exact Mass
250.044150
InChI
InChI=1S/C13H8F2O3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H,16,17)
InChIKey
GBNIIFZBFSZDQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.83
TPSA
46.53

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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