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CAS 2009346-30-7 “4-Methyl-6-cyanopyridine-3-boronic acid pinacol ester” molecular structure lightbox
CAS RN: 2009346-30-7

“4-Methyl-6-cyanopyridine-3-boronic acid pinacol ester”

  • Product code: SSC-094805
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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: 1g
  • Available purity: ＞97%
  • 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 2009346-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2009346-30-7 / 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile

Standard CAS: 2009346-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2009346-30-7
Multi CAS
No
Molecular Formula
C13H17BN2O2
Molecular Weight
244.100000
Exact Mass
244.138308
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2C)C#N
InChI
InChI=1S/C13H17BN2O2/c1-9-6-10(7-15)16-8-11(9)14-17-12(2,3)13(4,5)18-14/h6,8H,1-5H3
InChIKey
RBFOLJRYJNEFJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.41
TPSA
55.14

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-3.1

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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