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CAS 83198-07-6 SODIUM 2,4-DIFLUOROBENZOATE molecular structure lightbox
CAS RN: 83198-07-6

SODIUM 2,4-DIFLUOROBENZOATE

  • Product code: SSC-191090
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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: 5g
  • 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 83198-07-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

83198-07-6 / 2,4-difluorobenzoate

Standard CAS: 83198-07-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83198-07-6
Multi CAS
Yes
Molecular Formula
C7F2H3O2
Molecular Weight
157.090000
Exact Mass
157.010111
InChI
InChI=1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)/p-1
InChIKey
NJYBIFYEWYWYAN-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.69
TPSA
40.13

LogP / Solubility

WLOGP
0.33
MLOGP
0.28
XLogP3
2.5
Consensus LogP
1.04
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.45

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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