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CAS 1622217-35-9 2,5-DIFLUOROPYRIDINE-4-BORONIC ACID, PINACOL ESTSER molecular structure lightbox
CAS RN: 1622217-35-9

2,5-DIFLUOROPYRIDINE-4-BORONIC ACID, PINACOL ESTSER

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 10g In stock Shanghai Inquiry
Batchno.20250522 1g In stock Shanghai Inquiry
Batchno.20250125 250mg In stock Shanghai Inquiry
Batchno.20251017 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1622217-35-9
  • Purity/Analytical Methods: >99.0%
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1622217-35-9 / 2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Standard CAS: 1622217-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1622217-35-9
Multi CAS
No
Molecular Formula
C11H14BF2NO2
Molecular Weight
241.040000
Exact Mass
241.108565
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2F)F
InChI
InChI=1S/C11H14BF2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-9(14)15-6-8(7)13/h5-6H,1-4H3
InChIKey
GTNGEJWJUSJPBO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.87
TPSA
31.35

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-3.01

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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