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CAS 164461-18-1 1-Pyreneboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 164461-18-1

1-Pyreneboronic Acid (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251204 25g In stock Hebei Inquiry
Batchno.20251017 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251116 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250305 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251129 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250125 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251007 500g In stock Shanghai Inquiry
Batchno.20251118 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-071902
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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, 5g, 10g, 25g
  • 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 164461-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

164461-18-1 / pyren-1-ylboronic acid

Standard CAS: 164461-18-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
164461-18-1
Multi CAS
No
Molecular Formula
C16H11BO2
Molecular Weight
246.100000
Exact Mass
246.085210
SMILES
B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O
InChI
InChI=1S/C16H11BO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,18-19H
InChIKey
MWEKPLLMFXIZOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
79.97
TPSA
40.46

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.26
Consensus LogP
2.17
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.61

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
2

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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