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CAS 332398-52-4 (4-FORMYL-1-NAPHTHALENE)BORONIC ACID molecular structure lightbox
CAS RN: 332398-52-4

(4-FORMYL-1-NAPHTHALENE)BORONIC ACID

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100mg In stock Shanghai Inquiry
Batchno.20250602 1g In stock Shanghai Inquiry
Batchno.20251222 250mg In stock Shanghai Inquiry
  • Product code: SSC-139240
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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 332398-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

332398-52-4 / (4-formylnaphthalen-1-yl)boronic acid

Standard CAS: 332398-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
332398-52-4
Multi CAS
No
Molecular Formula
BC11H9O3
Molecular Weight
200.000000
Exact Mass
200.064474
InChI
InChI=1S/C11H9BO3/c13-7-8-5-6-11(12(14)15)10-4-2-1-3-9(8)10/h1-7,14-15H
InChIKey
KBHGTTWVFRLPRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.16
TPSA
57.53

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
XLogP3
0.33
Consensus LogP
0.32
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.7

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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