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CAS 216393-64-5 4-BROMO-2-FLUOROBENZENEBORONIC ACID molecular structure lightbox
CAS RN: 216393-64-5

4-BROMO-2-FLUOROBENZENEBORONIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250524 10g Out of stock Inquiry
Batchno.20250811 1g In stock Inquiry
Batchno.20260421 250mg In stock Inquiry
Batchno.20250623 5g In stock Inquiry
  • Product code: SSC-103681
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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: ＞97%
  • 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 216393-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

216393-64-5 / (4-bromo-2-fluorophenyl)boronic acid

Standard CAS: 216393-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216393-64-5
Multi CAS
No
Molecular Formula
C6H5BBrFO2
Molecular Weight
218.820000
Exact Mass
217.955000
SMILES
B(C1=C(C=C(C=C1)Br)F)(O)O
InChI
InChI=1S/C6H5BBrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey
PKZHIIVZRPUZSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.93
TPSA
40.46

LogP / Solubility

WLOGP
0.27
MLOGP
0.24
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.86

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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