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CAS 1025456-44-3 [2,2′-Binaphthalen]-6-ylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 1025456-44-3

[2,2′-Binaphthalen]-6-ylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 200mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003794
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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 1025456-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

1025456-44-3 / (6-naphthalen-2-ylnaphthalen-2-yl)boronic acid

[2,2'-Binaphthalen]-6-ylboronic Acid (contains varying amounts of Anhydride) | (2,2'-Binaphthalen)-6-ylboronic Acid (contains varying amounts of Anhydride) | RefChem:394306

Standard CAS: 1025456-44-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1025456-44-3
Multi CAS
No
Molecular Formula
C20H15BO2
Molecular Weight
298.100000
Exact Mass
298.116510
SMILES
B(C1=CC2=C(C=C1)C=C(C=C2)C3=CC4=CC=CC=C4C=C3)(O)O
InChI
InChI=1S/C20H15BO2/c22-21(23)20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13,22-23H
InChIKey
RVXRXLWMFONJPE-UHFFFAOYSA-N
Synonyms
[2,2'-Binaphthalen]-6-ylboronic Acid (contains varying amounts of Anhydride) (2,2'-Binaphthalen)-6-ylboronic Acid (contains varying amounts of Anhydride) RefChem:394306 835-324-9 [2,2'-Binaphthalen]-6-ylboronic acid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
96.72
TPSA
40.46

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
3.34
Consensus LogP
3.21
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly 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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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