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CAS 811439-31-3 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine hydrochloride molecular structure lightbox
CAS RN: 811439-31-3

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine hydrochloride

  • Product code: SSC-189688
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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: 5g
  • 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 811439-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

811439-31-3 / 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride

Standard CAS: 811439-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
811439-31-3
Multi CAS
No
Molecular Formula
C11H23BCLNO2
Molecular Weight
247.570000
Exact Mass
247.151037
InChI
InChI=1S/C11H22BNO2.ClH/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9;/h9,13H,5-8H2,1-4H3;1H
InChIKey
LWESFUOWZXRQKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.97
TPSA
30.49

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
2.18
Consensus LogP
2.1
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.68

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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