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CAS 854690-87-2 3-Difluoromethyl-phenylboronic acid molecular structure lightbox
CAS RN: 854690-87-2

3-Difluoromethyl-phenylboronic acid

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250811 100mg In stock Shanghai Inquiry
Batchno.20250203 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250102 250mg In stock Shanghai Inquiry
Batchno.20260218 25g In stock Shanghai Inquiry
Batchno.20260218 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250905 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-193871
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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: 1g
  • 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 854690-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

854690-87-2 / [3-(difluoromethyl)phenyl]boronic acid

Standard CAS: 854690-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854690-87-2
Multi CAS
No
Molecular Formula
BC7F2H7O2
Molecular Weight
171.940000
Exact Mass
172.050716
InChI
InChI=1S/C7H7BF2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7,11-12H
InChIKey
MYJVGNXKXAYCTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.22
TPSA
40.46

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-3.55

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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