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CAS 1073372-01-6 2-(4-ACETYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER molecular structure lightbox
CAS RN: 1073372-01-6

2-(4-ACETYLPIPERAZIN-1-YL)PYRIDINE-5-BORONIC ACID, PINACOL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008941
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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

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Recorded sizes, purity and stock details for CAS 1073372-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1073372-01-6 / 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone

1-(4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone | 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester | 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid pinacol ester

Standard CAS: 1073372-01-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1073372-01-6
Multi CAS
Yes
Molecular Formula
C17H26BN3O3
Molecular Weight
331.200000
Exact Mass
331.206722
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C
InChI
InChI=1S/C17H26BN3O3/c1-13(22)20-8-10-21(11-9-20)15-7-6-14(12-19-15)18-23-16(2,3)17(4,5)24-18/h6-7,12H,8-11H2,1-5H3
InChIKey
RNFCDPMIZSSWDQ-UHFFFAOYSA-N
Synonyms
1-(4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid, pinacol ester 2-(4-Acetylpiperazin-1-yl)pyridine-5-boronic acid pinacol ester MFCD09027063 1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
94.42
TPSA
54.9

LogP / Solubility

WLOGP
1.05
MLOGP
0.94
XLogP3
1.05
Consensus LogP
1.01
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.92
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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