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CAS 375853-82-0 1,2,3,6-TETRAHYDROPYRIDINE-4-YL-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 375853-82-0

1,2,3,6-TETRAHYDROPYRIDINE-4-YL-BORONIC ACID PINACOL ESTER

  • Product code: SSC-144996
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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 375853-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

375853-82-0 / 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

Standard CAS: 375853-82-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
375853-82-0
Multi CAS
Yes
Molecular Formula
BC11H20NO2
Molecular Weight
209.100000
Exact Mass
209.158709
InChI
InChI=1S/C11H20BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5,13H,6-8H2,1-4H3
InChIKey
AIPUNCFCQBDNDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.65
TPSA
30.49

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.9

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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