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CAS 352534-79-3 2-Fluoro-5-formylphenylboronic acid molecular structure lightbox
CAS RN: 352534-79-3

2-Fluoro-5-formylphenylboronic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260412 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS352534-79-3
  • Purity/Analytical Methods: >99.0%
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352534-79-3 / (2-fluoro-5-formylphenyl)boronic acid

Standard CAS: 352534-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352534-79-3
Multi CAS
No
Molecular Formula
BC7FH6O3
Molecular Weight
167.930000
Exact Mass
168.039402
InChI
InChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4,11-12H
InChIKey
SQSWYWCEKCVQEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.61
TPSA
57.53

LogP / Solubility

WLOGP
-0.68
MLOGP
-0.6
XLogP3
-0.68
Consensus LogP
-0.65
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-4.23

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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