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CAS 1622217-32-6 4,6-Dimethylpyridine-3-boronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 1622217-32-6

4,6-Dimethylpyridine-3-boronic Acid Pinacol Ester

  • Product code: SSC-069783
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1622217-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1622217-32-6 / 2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Standard CAS: 1622217-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1622217-32-6
Multi CAS
No
Molecular Formula
C13H20BNO2
Molecular Weight
233.120000
Exact Mass
233.158709
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C)C
InChI
InChI=1S/C13H20BNO2/c1-9-7-10(2)15-8-11(9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3
InChIKey
APXPNTIPURIKQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
69.43
TPSA
31.35

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.72

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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