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CAS 100622-34-2 9-Anthraceneboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 100622-34-2

9-Anthraceneboronic Acid (contains varying amounts of Anhydride)

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14 package records14 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100g In stock Inquiry
Batchno.20250905 10g In stock Inquiry
Batchno.20260608 1g In stock Inquiry
Batchno.20260701 250mg In stock Inquiry
Batchno.20250203 25g In stock Inquiry
Batchno.20260311 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250615 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250621 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260225 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20251104 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251011 500g In stock Shanghai, Chengdu Inquiry
Batchno.20250112 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-001225
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Verified Factory Data

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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 100622-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥98% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

100622-34-2 / anthracen-9-ylboronic acid

2-anthraceneboronic acid (contains varying amounts of anhydride) | RefChem:465242 | 676-035-6

Standard CAS: 100622-34-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100622-34-2
Multi CAS
Yes
Molecular Formula
C14H11BO2
Molecular Weight
222.050000
Exact Mass
222.085210
SMILES
B(C1=C2C=CC=CC2=CC3=CC=CC=C13)(O)O
InChI
InChI=1S/C14H11BO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,16-17H
InChIKey
VHHDLIWHHXBLBK-UHFFFAOYSA-N
Synonyms
2-anthraceneboronic acid (contains varying amounts of anhydride) RefChem:465242 676-035-6 Anthracen-2-ylboronic Acid 2-Anthraceneboronic Acid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.28
TPSA
40.46

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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