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CAS 2051588-60-2 (6-(3-fluorophenoxy)pyridin-3-yl)boronic acid molecular structure lightbox
CAS RN: 2051588-60-2

(6-(3-fluorophenoxy)pyridin-3-yl)boronic acid

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250621 250mg In stock Shanghai Inquiry
Batchno.20250203 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251203 5g Out of stock Inquiry
  • Product code: starshine_CAS2051588-60-2
  • Purity/Analytical Methods: >99.0%
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2051588-60-2 / [6-(3-fluorophenoxy)-3-pyridinyl]boronic acid

Standard CAS: 2051588-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2051588-60-2
Multi CAS
No
Molecular Formula
C11H9BFNO3
Molecular Weight
233.010000
Exact Mass
233.065952
SMILES
B(C1=CN=C(C=C1)OC2=CC(=CC=C2)F)(O)O
InChI
InChI=1S/C11H9BFNO3/c13-9-2-1-3-10(6-9)17-11-5-4-8(7-14-11)12(15)16/h1-7,15-16H
InChIKey
OSGPEIVGCVSDBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.54
TPSA
62.58

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.69
Consensus LogP
0.66
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.65

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

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