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CAS 85006-23-1 3-AMINOPHENYLBORONIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 85006-23-1

3-AMINOPHENYLBORONIC ACID HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250911 100g Out of stock Inquiry
Batchno.20260509 1g In stock Inquiry
Batchno.20250905 25g In stock Inquiry
Batchno.20260612 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250513 100g In stock Shanghai, Shandong Inquiry
Batchno.20260512 1g In stock Shanghai Inquiry
Batchno.20250928 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250725 5g In stock Shanghai, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250330 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-192859
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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, 25g
  • 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 85006-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

85006-23-1 / (3-aminophenyl)boronic acid;hydrochloride

Standard CAS: 85006-23-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85006-23-1
Multi CAS
Yes
Molecular Formula
C6H9BCLNO2
Molecular Weight
173.410000
Exact Mass
173.041486
InChI
InChI=1S/C6H8BNO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,9-10H,8H2;1H
InChIKey
QBMHZZHJIBUPOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.93
TPSA
66.48

LogP / Solubility

WLOGP
-0.63
MLOGP
-0.56
XLogP3
-0.63
Consensus LogP
-0.61
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-4.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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