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CAS 656235-44-8 Boronic acid, (2-cyano-6-fluorophenyl)- (9CI) molecular structure lightbox
CAS RN: 656235-44-8

Boronic acid, (2-cyano-6-fluorophenyl)- (9CI)

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250909 100mg In stock Inquiry
Batchno.20250616 1g In stock Inquiry
Batchno.20260420 250mg In stock Inquiry
Batchno.20250819 50mg In stock Inquiry
Batchno.20251118 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-175264
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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: 0.25g, 1g, 5g, 0.1g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 656235-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 3 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry

656235-44-8 / (2-cyano-6-fluorophenyl)boronic acid

Standard CAS: 656235-44-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
656235-44-8
Multi CAS
Yes
Molecular Formula
BC7FH5NO2
Molecular Weight
164.930000
Exact Mass
165.039737
InChI
InChI=1S/C7H5BFNO2/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,11-12H
InChIKey
PPLSIVNRHUSMMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.94
TPSA
64.25

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.55
XLogP3
-0.62
Consensus LogP
-0.6
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.17

Drug-likeness / Medicinal Chemistry

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

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