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CAS 28314-82-1 4-bromo-2,5-difluorobenzoic acid molecular structure lightbox
CAS RN: 28314-82-1

4-bromo-2,5-difluorobenzoic acid

  • Product code: SSC-129379
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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: 5g, 10g, 25g, 1g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 28314-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
100g >97% 2 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

28314-82-1 / 4-bromo-2,5-difluorobenzoic acid

Standard CAS: 28314-82-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28314-82-1
Multi CAS
Yes
Molecular Formula
BC7H3O2Rf2
Molecular Weight
237.000000
Exact Mass
235.928450
InChI
InChI=1S/C7H3BrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChIKey
YWZSTHLOAZTDFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.02
TPSA
37.3

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
2.3
Consensus LogP
2.29
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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