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CAS 214210-21-6 3-Cyano-4-fluorophenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 214210-21-6

3-Cyano-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-102691
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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: 25g, 1g, 5g, 10g, 100g
  • 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 214210-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 4 In Stock Beijing Inquiry
1g ≥98% 2 In Stock Shanghai Inquiry
5g ≥98% 2 In Stock Beijing Inquiry
10g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 1 In Stock Beijing Inquiry

214210-21-6 / (3-cyano-4-fluorophenyl)boronic acid

Standard CAS: 214210-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214210-21-6
Multi CAS
No
Molecular Formula
C7H5BFNO2
Molecular Weight
164.930000
Exact Mass
165.039737
SMILES
B(C1=CC(=C(C=C1)F)C#N)(O)O
InChI
InChI=1S/C7H5BFNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H
InChIKey
OLKIYJDSLMKNLC-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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