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CAS 159614-36-5 Boronic acid, [2,2′-bipyridine]-4,4′-diylbis- molecular structure lightbox
CAS RN: 159614-36-5

Boronic acid, [2,2′-bipyridine]-4,4′-diylbis-

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260213 100mg In stock Inquiry
Batchno.20260124 1g Out of stock Inquiry
Batchno.20260106 250mg In stock Inquiry
Batchno.20250130 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 100mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS159614-36-5
  • Purity/Analytical Methods: >99.0%
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159614-36-5 / [2-(4-borono-2-pyridinyl)-4-pyridinyl]boronic acid

Standard CAS: 159614-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159614-36-5
Multi CAS
No
Molecular Formula
C10H10B2N2O4
Molecular Weight
243.800000
Exact Mass
244.082667
SMILES
B(C1=CC(=NC=C1)C2=NC=CC(=C2)B(O)O)(O)O
InChI
InChI=1S/C10H10B2N2O4/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10/h1-6,15-18H
InChIKey
RYFWHZWLDULHHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
67.12
TPSA
106.7

LogP / Solubility

WLOGP
-2.5
MLOGP
-2.19
XLogP3
-2.5
Consensus LogP
-2.4
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.47
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.98

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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