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CAS 103986-53-4 4-Methyl-1-naphthaleneboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 103986-53-4

4-Methyl-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 100g In stock Shanghai Inquiry
Batchno.20251111 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250319 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250125 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251113 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250102 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-005654
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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: 5g, 10g
  • 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 103986-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

103986-53-4 / (4-methylnaphthalen-1-yl)boronic acid

4-Methyl-1-naphthaleneboronic acid | DTXSID60378510 | RefChem:99703

Standard CAS: 103986-53-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103986-53-4
Multi CAS
No
Molecular Formula
C11H11BO2
Molecular Weight
186.020000
Exact Mass
186.085210
SMILES
B(C1=CC=C(C2=CC=CC=C12)C)(O)O
InChI
InChI=1S/C11H11BO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,13-14H,1H3
InChIKey
JHVQEUGNYSVSDH-UHFFFAOYSA-N
Synonyms
4-Methyl-1-naphthaleneboronic acid DTXSID60378510 RefChem:99703 DTXCID10329537 (4-Methyl-1-naphthalene)boronic acid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.51
TPSA
40.46

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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 (97.8%): 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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