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CAS 352525-94-1 3-Aminomethylphenylboronic acid hydrochloride molecular structure lightbox
CAS RN: 352525-94-1

3-Aminomethylphenylboronic acid hydrochloride

Product Availability

Choose a grade to view its available package options.

8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 1g In stock Inquiry
Batchno.20260414 250mg In stock Inquiry
Batchno.20260416 25g Out of stock Inquiry
Batchno.20250312 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250320 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260608 25g Out of stock Inquiry
Batchno.20260301 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-142180
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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 352525-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

352525-94-1 / [3-(aminomethyl)phenyl]boronic acid;hydrochloride

Standard CAS: 352525-94-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352525-94-1
Multi CAS
Yes
Molecular Formula
C7H11BCLNO2
Molecular Weight
187.430000
Exact Mass
187.057137
InChI
InChI=1S/C7H10BNO2.ClH/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4,10-11H,5,9H2;1H
InChIKey
NPTBTFRGCBFYPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
51.41
TPSA
66.48

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.66
XLogP3
-0.75
Consensus LogP
-0.72
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
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)
-4.4

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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