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CAS 1384954-82-8 4-(4-Acetyl-1-piperazinyl)phenylboronic Acid molecular structure lightbox
CAS RN: 1384954-82-8

4-(4-Acetyl-1-piperazinyl)phenylboronic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-048494
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1384954-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 4 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1384954-82-8 / [4-(4-acetylpiperazin-1-yl)phenyl]boronic acid

Standard CAS: 1384954-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384954-82-8
Multi CAS
No
Molecular Formula
C12H17BN2O3
Molecular Weight
248.090000
Exact Mass
248.133223
SMILES
B(C1=CC=C(C=C1)N2CCN(CC2)C(=O)C)(O)O
InChI
InChI=1S/C12H17BN2O3/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(3-5-12)13(17)18/h2-5,17-18H,6-9H2,1H3
InChIKey
NEPZCNSUXGOPPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.73
TPSA
64.01

LogP / Solubility

WLOGP
-0.97
MLOGP
-0.84
XLogP3
-0.97
Consensus LogP
-0.93
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.92

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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