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CAS 1383531-49-4 [4-(2-fluorophenyl)phenyl]boronic acid molecular structure lightbox
CAS RN: 1383531-49-4

[4-(2-fluorophenyl)phenyl]boronic acid

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250120 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260125 1g Out of stock Inquiry
Batchno.20250317 250mg In stock Shanghai Inquiry
Batchno.20250609 50mg In stock Shanghai Inquiry
Batchno.20250916 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-048258
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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: ≥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 1383531-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1383531-49-4 / [4-(2-fluorophenyl)phenyl]boronic acid

Standard CAS: 1383531-49-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1383531-49-4
Multi CAS
No
Molecular Formula
C12H10BFO2
Molecular Weight
216.020000
Exact Mass
216.075788
SMILES
B(C1=CC=C(C=C1)C2=CC=CC=C2F)(O)O
InChI
InChI=1S/C12H10BFO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8,15-16H
InChIKey
VXZNXBXQOLYKSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.66
TPSA
40.46

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.21

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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