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CAS 51239-46-4 4-(AMINOMETHYL)BENZENEBORONIC ACID molecular structure lightbox
CAS RN: 51239-46-4

4-(AMINOMETHYL)BENZENEBORONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 500mg In stock Shanghai Inquiry
  • Product code: SSC-158072
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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

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51239-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

51239-46-4 / [4-(aminomethyl)phenyl]boronic acid

Standard CAS: 51239-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51239-46-4
Multi CAS
No
Molecular Formula
BC7H10NO2
Molecular Weight
150.970000
Exact Mass
151.080459
InChI
InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2
InChIKey
KMWLUGSVWULTHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.16
TPSA
66.48

LogP / Solubility

WLOGP
-1.17
MLOGP
-1.04
XLogP3
-1.17
Consensus LogP
-1.13
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48

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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