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CAS 2256708-73-1 (2-hydroxy-6-(piperidin-2-yl)pyridin-4-yl)boronic acid molecular structure lightbox
CAS RN: 2256708-73-1

(2-hydroxy-6-(piperidin-2-yl)pyridin-4-yl)boronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 25mg Out of stock 5-7 business days Inquiry
  • Product code: LINH889638
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2256708-73-1 / (2-oxo-6-piperidin-2-yl-1H-pyridin-4-yl)boronic acid

Standard CAS: 2256708-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2256708-73-1
Multi CAS
No
Molecular Formula
C10H15BN2O3
Molecular Weight
222.050000
Exact Mass
222.117573
SMILES
B(C1=CC(=O)NC(=C1)C2CCCCN2)(O)O
InChI
InChI=1S/C10H15BN2O3/c14-10-6-7(11(15)16)5-9(13-10)8-3-1-2-4-12-8/h5-6,8,12,15-16H,1-4H2,(H,13,14)
InChIKey
BHFTXYQDHKLZHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
61.48
TPSA
85.35

LogP / Solubility

WLOGP
-1.13
MLOGP
-0.99
XLogP3
-1.13
Consensus LogP
-1.08
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very 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)
-4.88

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
2

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