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CAS 28314-81-0 3-bromo-2,6-difluorobenzoic acid molecular structure lightbox
CAS RN: 28314-81-0

3-bromo-2,6-difluorobenzoic acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251211 100g In stock Inquiry
Batchno.20250215 10g In stock Inquiry
Batchno.20260102 1g In stock Inquiry
Batchno.20250412 25g In stock Inquiry
Batchno.20250416 5g In stock Inquiry
  • Product code: SSC-129378
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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, 100g, 1g, 500g
  • Available purity: ≥98%
  • 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 28314-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 4 In Stock Shanghai Inquiry
1g ≥98% 1 In Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

28314-81-0 / 4-bromo-2,6-difluorobenzoic acid

Standard CAS: 28314-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28314-81-0
Multi CAS
No
Molecular Formula
C7H3BrF2O2
Molecular Weight
237.000000
Exact Mass
235.928450
SMILES
C1=C(C=C(C(=C1F)C(=O)O)F)Br
InChI
InChI=1S/C7H3BrF2O2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,(H,11,12)
InChIKey
WEBVJSPIUIPJKV-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
Leadlikeness
No
Synthetic Accessibility
1.5

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