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CAS 1061350-97-7 2-(2-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 1061350-97-7

2-(2-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250121 100mg Out of stock 15 business days Inquiry
Batchno.20250104 1g In stock Inquiry
Batchno.20250802 25g Out of stock Inquiry
Batchno.20250812 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260404 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260127 250mg In stock Shanghai Inquiry
Batchno.20260623 5g In stock Shanghai Inquiry
  • Product code: SSC-007949
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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: ≥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 1061350-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1061350-97-7 / (2-naphthalen-2-ylphenyl)boronic acid

(2-(Naphthalen-2-yl)phenyl)boronic acid | 2-(naphthalen-2-yl)phenylboronic acid | (2-naphthalen-2-ylphenyl)boronic acid

Standard CAS: 1061350-97-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1061350-97-7
Multi CAS
Yes
Molecular Formula
C16H13BO2
Molecular Weight
248.100000
Exact Mass
248.100860
SMILES
B(C1=CC=CC=C1C2=CC3=CC=CC=C3C=C2)(O)O
InChI
InChI=1S/C16H13BO2/c18-17(19)16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,18-19H
InChIKey
UKGHMNPNPCSUIG-UHFFFAOYSA-N
Synonyms
(2-(Naphthalen-2-yl)phenyl)boronic acid 2-(naphthalen-2-yl)phenylboronic acid (2-naphthalen-2-ylphenyl)boronic acid 2-(2-Naphthyl)phenylboronic acid MFCD16293737

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
79.21
TPSA
40.46

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.19
Consensus LogP
2.1
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

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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