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CAS 651027-01-9 2-BROMO-3,5-DIFLUOROBENZOIC ACID molecular structure lightbox
CAS RN: 651027-01-9

2-BROMO-3,5-DIFLUOROBENZOIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260319 100g In stock Inquiry
Batchno.20260526 1g In stock Inquiry
Batchno.20260507 25g In stock Inquiry
Batchno.20250625 5g In stock Inquiry
  • Product code: SSC-174754
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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: 25g, 100g
  • 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 651027-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

651027-01-9 / 4-bromo-2,6-difluorobenzoic acid

Standard CAS: 651027-01-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
651027-01-9
Multi CAS
Yes
Molecular Formula
BC7H3O2Rf2
Molecular Weight
237.000000
Exact Mass
235.928450
InChI
InChI=1S/C7H3BrF2O2/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2H,(H,11,12)
InChIKey
KBOFTBQUYXDFEF-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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