CAS RN: 2096339-18-1
(6-(benzyloxy)pyridin-2-yl)boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250205 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2096339-18-1
- Purity/Analytical Methods: >99.0%
2096339-18-1 / (6-phenylmethoxy-2-pyridinyl)boronic acid
Basic Information
CAS
2096339-18-1
Multi CAS
No
Molecular Formula
C12H12BNO3
Molecular Weight
229.040000
Exact Mass
229.091023
SMILES
B(C1=NC(=CC=C1)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C12H12BNO3/c15-13(16)11-7-4-8-12(14-11)17-9-10-5-2-1-3-6-10/h1-8,15-16H,9H2
InChIKey
NMEPOSOMGLQQNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.84
TPSA
62.58
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.88
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
1.5
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